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

C20H22Cl2N2O3 — CID 46231642

IUPAC[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-2-3-4-5-11-23-20(26)27-18-10-9-15(22)13-17(18)19(25)24-16-8-6-7-14(21)12-16/h6-10,12-13H,2-5,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyFORDENPUNDZVOS-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.91
Rot. Bonds8

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

[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate (PubChem CID 46231642) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
PubChem CID46231642
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-2-3-4-5-11-23-20(26)27-18-10-9-15(22)13-17(18)19(25)24-16-8-6-7-14(21)12-16/h6-10,12-13H,2-5,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyFORDENPUNDZVOS-UHFFFAOYSA-N
XLogP5.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.91
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-decylcarbamate
CID 46231703
[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
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
[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-hexylcarbamate?
The IUPAC name of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate (CID 46231642) is [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate.
What is the SMILES notation for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate?
The canonical SMILES for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate is CCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate?
The InChIKey is FORDENPUNDZVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-2-3-4-5-11-23-20(26)27-18-10-9-15(22)13-17(18)19(25)24-16-8-6-7-14(21)12-16/h6-10,12-13H,2-5,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate?
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate has a molecular weight of 409.31 g/mol, XLogP of 5.91, 8 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-hexylcarbamate is sourced from PubChem (CID 46231642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).