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

About 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

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 (PubChem CID 5261613) has the molecular formula C25H22Cl2N4O4 and a molecular weight of 513.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	5261613
Molecular Formula	C25H22Cl2N4O4
Molecular Weight	513.38 g/mol
Exact Mass	512.10
IUPAC Name	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
SMILES	CC12CCC(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChI	InChI=1S/C25H22Cl2N4O4/c1-23(2)24(3)6-7-25(23,22(33)31-30-21(32)13-5-4-12(26)8-14(13)27)20-19(24)28-15-9-17-18(35-11-34-17)10-16(15)29-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,30,32)(H,31,33)
InChIKey	OWRFSGSAOIBENJ-UHFFFAOYSA-N
XLogP	4.46
TPSA	102.44 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	2
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.38
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC12CCC(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C.

What is the InChIKey of 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?

The InChIKey is OWRFSGSAOIBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O4/c1-23(2)24(3)6-7-25(23,22(33)31-30-21(32)13-5-4-12(26)8-14(13)27)20-19(24)28-15-9-17-18(35-11-34-17)10-16(15)29-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,30,32)(H,31,33).

What are the key properties of 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?

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 has a molecular weight of 513.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 5261613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).