cyclohexylmethyl N-(3-chlorophenyl)carbamate

C14H18ClNO2 — CID 27108719

IUPACcyclohexylmethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,16,17)
InChIKeyUWIWBIYJEJDCPK-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.47
Rot. Bonds3

About cyclohexylmethyl N-(3-chlorophenyl)carbamate

cyclohexylmethyl N-(3-chlorophenyl)carbamate (PubChem CID 27108719) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is cyclohexylmethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-(3-chlorophenyl)carbamate
PubChem CID27108719
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namecyclohexylmethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,16,17)
InChIKeyUWIWBIYJEJDCPK-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
cyclohexylmethyl N-quinolin-7-ylcarbamate
CID 69258697
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 63515430
methyl N-(3-chlorophenyl)carbamate
CID 16529
(6-methylmorpholin-2-yl)methyl N-(3-chlorophenyl)carbamate
CID 102635530
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate
CID 819742
[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] N-(3-chlorophenyl)carbamate
CID 124922833

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of cyclohexylmethyl N-(3-chlorophenyl)carbamate (CID 27108719) is cyclohexylmethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for cyclohexylmethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for cyclohexylmethyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-(3-chlorophenyl)carbamate?
The InChIKey is UWIWBIYJEJDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,16,17).
What are the key properties of cyclohexylmethyl N-(3-chlorophenyl)carbamate?
cyclohexylmethyl N-(3-chlorophenyl)carbamate has a molecular weight of 267.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 27108719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).