(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate

C14H12ClNO3 — CID 3542576

IUPAC(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
SMILESCc1cc(OC(=O)Nc2ccccc2Cl)ccc1O
InChIInChI=1S/C14H12ClNO3/c1-9-8-10(6-7-13(9)17)19-14(18)16-12-5-3-2-4-11(12)15/h2-8,17H,1H3,(H,16,18)
InChIKeyJCQCDLQJEBRKEZ-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.96
Rot. Bonds2

About (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate

(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate (PubChem CID 3542576) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
PubChem CID3542576
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
SMILESCc1cc(OC(=O)Nc2ccccc2Cl)ccc1O
InChIInChI=1S/C14H12ClNO3/c1-9-8-10(6-7-13(9)17)19-14(18)16-12-5-3-2-4-11(12)15/h2-8,17H,1H3,(H,16,18)
InChIKeyJCQCDLQJEBRKEZ-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
CID 4560735
(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate
CID 4093750
[4-(2-aminoethyl)phenyl] N-(2-chlorophenyl)carbamate
CID 79337961
1,2,3,4-tetrahydroquinolin-6-yl N-(2-chlorophenyl)carbamate
CID 11514982
[3-[(2-chlorophenyl)carbamoylamino]phenyl] N-methylcarbamate
CID 134123011
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate?
The IUPAC name of (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate (CID 3542576) is (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate.
What is the SMILES notation for (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate?
The canonical SMILES for (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate is Cc1cc(OC(=O)Nc2ccccc2Cl)ccc1O.
What is the InChIKey of (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate?
The InChIKey is JCQCDLQJEBRKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-8-10(6-7-13(9)17)19-14(18)16-12-5-3-2-4-11(12)15/h2-8,17H,1H3,(H,16,18).
What are the key properties of (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate?
(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate has a molecular weight of 277.71 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 3542576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).