N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide

C24H21Cl2N3O3 — CID 5261236

IUPACN-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C24H21Cl2N3O3/c1-22(2)23(3)6-7-24(22,21(30)27-12-4-5-13(25)14(26)8-12)20-19(23)28-15-9-17-18(32-11-31-17)10-16(15)29-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,27,30)
InChIKeyUOLUSZLBQAKQKM-UHFFFAOYSA-N
MW470.36 g/mol
LogP5.63
Rot. Bonds2

About N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide

N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide (PubChem CID 5261236) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
PubChem CID5261236
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC NameN-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C24H21Cl2N3O3/c1-22(2)23(3)6-7-24(22,21(30)27-12-4-5-13(25)14(26)8-12)20-19(23)28-15-9-17-18(32-11-31-17)10-16(15)29-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,27,30)
InChIKeyUOLUSZLBQAKQKM-UHFFFAOYSA-N
XLogP5.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide with MolForge

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Related Compounds

N-(2,6-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261536
N-(3-chloro-2-methylphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271487
N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261542
15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261463
N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271491
6,7-dichloro-12,15,15-trimethyl-N-(4-nitrophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 5198841
N'-(2,4-dichlorobenzoyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261613
15,18,18-trimethyl-N-(1,3-thiazol-2-yl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261471
15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261577
6,7-dichloro-N',N',12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 5197099
6,7-dichloro-N-(2,4-dichlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 3248495
N'-[2-(2,4-dichlorophenoxy)acetyl]-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261645

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide (CID 5261236) is N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The InChIKey is UOLUSZLBQAKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-22(2)23(3)6-7-24(22,21(30)27-12-4-5-13(25)14(26)8-12)20-19(23)28-15-9-17-18(32-11-31-17)10-16(15)29-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,27,30).
What are the key properties of N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide is sourced from PubChem (CID 5261236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).