ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate

C16H22ClNO2 — CID 23069452

IUPACethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C2(C)CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-3-20-15(19)18-14-8-7-12(11-13(14)17)16(2)9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyBNLVUIKEIZSJKY-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.13
Rot. Bonds3

About ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate

ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate (PubChem CID 23069452) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate
PubChem CID23069452
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nameethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C2(C)CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-3-20-15(19)18-14-8-7-12(11-13(14)17)16(2)9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyBNLVUIKEIZSJKY-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate
CID 70477773
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
CID 131846229
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
5-chloro-2-[[4-(1-methylcyclohexyl)benzoyl]amino]benzoic acid
CID 46935602

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate (CID 23069452) is ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate is CCOC(=O)Nc1ccc(C2(C)CCCCC2)cc1Cl.
What is the InChIKey of ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate?
The InChIKey is BNLVUIKEIZSJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-20-15(19)18-14-8-7-12(11-13(14)17)16(2)9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate?
ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate has a molecular weight of 295.81 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-chloro-4-(1-methylcyclohexyl)phenyl]carbamate is sourced from PubChem (CID 23069452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).