[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid

C14H16ClNO3 — CID 155683006

IUPAC[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H16ClNO3/c15-11-6-2-1-5-10(11)14(9-16-13(18)19)8-4-3-7-12(14)17/h1-2,5-6,16H,3-4,7-9H2,(H,18,19)
InChIKeyAXVMMCSAAINADM-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.99
Rot. Bonds3

About [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid

[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid (PubChem CID 155683006) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid
PubChem CID155683006
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C14H16ClNO3/c15-11-6-2-1-5-10(11)14(9-16-13(18)19)8-4-3-7-12(14)17/h1-2,5-6,16H,3-4,7-9H2,(H,18,19)
InChIKeyAXVMMCSAAINADM-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid 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

methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
CID 142619997
2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
CID 155671583
2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
CID 155755176
[4-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylamino]-4-oxobutyl]azanium chloride
CID 155671578
[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxymethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 152729596
1-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxy]ethyl 2-(2-methylpropanoylamino)acetate
CID 151732696
1-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxy]ethyl 2-(propanoylamino)acetate
CID 151246928
1-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxy]ethyl (2S)-2-acetamido-3-methylbutanoate
CID 152595035
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
CID 91753398
methyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]carbamate
CID 153325940
4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
CID 2354551

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid?
The IUPAC name of [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid (CID 155683006) is [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid.
What is the SMILES notation for [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid?
The canonical SMILES for [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid is O=C(O)NCC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid?
The InChIKey is AXVMMCSAAINADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-6-2-1-5-10(11)14(9-16-13(18)19)8-4-3-7-12(14)17/h1-2,5-6,16H,3-4,7-9H2,(H,18,19).
What are the key properties of [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid?
[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid has a molecular weight of 281.74 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid is sourced from PubChem (CID 155683006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).