methyl N-(4-chloro-3-methylphenyl)carbamate

C9H10ClNO2 — CID 67274830

IUPACmethyl N-(4-chloro-3-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(C)c1
InChIInChI=1S/C9H10ClNO2/c1-6-5-7(3-4-8(6)10)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyPCPITKFAAPOSHJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.83
Rot. Bonds1

About methyl N-(4-chloro-3-methylphenyl)carbamate

methyl N-(4-chloro-3-methylphenyl)carbamate (PubChem CID 67274830) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is methyl N-(4-chloro-3-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chloro-3-methylphenyl)carbamate
PubChem CID67274830
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Namemethyl N-(4-chloro-3-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)c(C)c1
InChIInChI=1S/C9H10ClNO2/c1-6-5-7(3-4-8(6)10)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyPCPITKFAAPOSHJ-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
1-amino-3-(4-chloro-3-methylphenyl)-1-methylurea
CID 178164527
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
(4-chloro-3-methylphenyl)thiourea
CID 88635123
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
3-bromo-N-(4-chloro-3-methylphenyl)propanamide
CID 82110631
(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 58619258
methyl N-(3-chlorophenyl)carbamate
CID 16529
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
CID 71421286
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea
CID 153024468

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloro-3-methylphenyl)carbamate?
The IUPAC name of methyl N-(4-chloro-3-methylphenyl)carbamate (CID 67274830) is methyl N-(4-chloro-3-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-chloro-3-methylphenyl)carbamate?
The canonical SMILES for methyl N-(4-chloro-3-methylphenyl)carbamate is COC(=O)Nc1ccc(Cl)c(C)c1.
What is the InChIKey of methyl N-(4-chloro-3-methylphenyl)carbamate?
The InChIKey is PCPITKFAAPOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-5-7(3-4-8(6)10)11-9(12)13-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl N-(4-chloro-3-methylphenyl)carbamate?
methyl N-(4-chloro-3-methylphenyl)carbamate has a molecular weight of 199.64 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloro-3-methylphenyl)carbamate is sourced from PubChem (CID 67274830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).