[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate

C24H30Cl2N2O3 — CID 46231703

IUPAC[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H30Cl2N2O3/c1-2-3-4-5-6-7-8-9-15-27-24(30)31-22-14-13-19(26)17-21(22)23(29)28-20-12-10-11-18(25)16-20/h10-14,16-17H,2-9,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyIMOVDILPVGSAKX-UHFFFAOYSA-N
MW465.42 g/mol
LogP7.47
Rot. Bonds12

About [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate

[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate (PubChem CID 46231703) has the molecular formula C24H30Cl2N2O3 and a molecular weight of 465.42 g/mol. Its IUPAC name is [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate
PubChem CID46231703
Molecular FormulaC24H30Cl2N2O3
Molecular Weight465.42 g/mol
Exact Mass464.16
IUPAC Name[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H30Cl2N2O3/c1-2-3-4-5-6-7-8-9-15-27-24(30)31-22-14-13-19(26)17-21(22)23(29)28-20-12-10-11-18(25)16-20/h10-14,16-17H,2-9,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyIMOVDILPVGSAKX-UHFFFAOYSA-N
XLogP7.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231642
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231907
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2-chloroethyl)carbamate
CID 122188848
5-bromo-N-[(3-chlorophenyl)carbamothioyl]-2-hexoxybenzamide
CID 17343576
heptyl 2-(3-chloroanilino)-2-oxoacetate
CID 6420863
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
CID 134123208

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate?
The IUPAC name of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate (CID 46231703) is [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate.
What is the SMILES notation for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate?
The canonical SMILES for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate is CCCCCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate?
The InChIKey is IMOVDILPVGSAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3/c1-2-3-4-5-6-7-8-9-15-27-24(30)31-22-14-13-19(26)17-21(22)23(29)28-20-12-10-11-18(25)16-20/h10-14,16-17H,2-9,15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate?
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate has a molecular weight of 465.42 g/mol, XLogP of 7.47, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate is sourced from PubChem (CID 46231703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).