cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate

C20H22ClNO3 — CID 143865656

IUPACcyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
SMILESO=C(OCC1CCCCC1)N(c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO3/c21-16-6-8-17(9-7-16)22(18-10-12-19(23)13-11-18)20(24)25-14-15-4-2-1-3-5-15/h6-13,15,23H,1-5,14H2
InChIKeyMTVALLBJBLSZIJ-UHFFFAOYSA-N
MW359.85 g/mol
LogP5.90
Rot. Bonds4

About cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate

cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate (PubChem CID 143865656) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
PubChem CID143865656
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Namecyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
SMILESO=C(OCC1CCCCC1)N(c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO3/c21-16-6-8-17(9-7-16)22(18-10-12-19(23)13-11-18)20(24)25-14-15-4-2-1-3-5-15/h6-13,15,23H,1-5,14H2
InChIKeyMTVALLBJBLSZIJ-UHFFFAOYSA-N
XLogP5.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.85
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)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

cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
CID 169189359
propyl 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetate
CID 170655002
cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
ethyl N,N-bis(4-chlorophenyl)carbamate
CID 67612549
cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
CID 143865577
2-[[2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]ethanesulfonic acid;hydrate
CID 88876702
potassium;2-[[2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetyl]amino]ethanesulfonic acid;hydride
CID 173465986
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
CID 143865582
1-(4-chlorophenyl)-1-cyclohexylurea
CID 68800466
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate?
The IUPAC name of cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate (CID 143865656) is cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate is O=C(OCC1CCCCC1)N(c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate?
The InChIKey is MTVALLBJBLSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c21-16-6-8-17(9-7-16)22(18-10-12-19(23)13-11-18)20(24)25-14-15-4-2-1-3-5-15/h6-13,15,23H,1-5,14H2.
What are the key properties of cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate?
cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate has a molecular weight of 359.85 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 143865656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).