(4-chloro-2-methylphenyl)methylcarbamic acid

C9H10ClNO2 — CID 68522575

IUPAC(4-chloro-2-methylphenyl)methylcarbamic acid
SMILESCc1cc(Cl)ccc1CNC(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6-4-8(10)3-2-7(6)5-11-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyRZVSPDLJUREUTQ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.42
Rot. Bonds2

About (4-chloro-2-methylphenyl)methylcarbamic acid

(4-chloro-2-methylphenyl)methylcarbamic acid (PubChem CID 68522575) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)methylcarbamic acid
PubChem CID68522575
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(4-chloro-2-methylphenyl)methylcarbamic acid
SMILESCc1cc(Cl)ccc1CNC(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6-4-8(10)3-2-7(6)5-11-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyRZVSPDLJUREUTQ-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
(2-methyl-4-nitrophenyl)methylcarbamic acid
CID 143383996
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 23966213
N-[(4-chloro-2-methylphenyl)methyl]but-2-yn-1-amine
CID 104854390
2-[(4-chloro-2-methylphenyl)methylamino]propane-1,3-diol
CID 104854266

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)methylcarbamic acid?
The IUPAC name of (4-chloro-2-methylphenyl)methylcarbamic acid (CID 68522575) is (4-chloro-2-methylphenyl)methylcarbamic acid.
What is the SMILES notation for (4-chloro-2-methylphenyl)methylcarbamic acid?
The canonical SMILES for (4-chloro-2-methylphenyl)methylcarbamic acid is Cc1cc(Cl)ccc1CNC(=O)O.
What is the InChIKey of (4-chloro-2-methylphenyl)methylcarbamic acid?
The InChIKey is RZVSPDLJUREUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-4-8(10)3-2-7(6)5-11-9(12)13/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of (4-chloro-2-methylphenyl)methylcarbamic acid?
(4-chloro-2-methylphenyl)methylcarbamic acid has a molecular weight of 199.64 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)methylcarbamic acid is sourced from PubChem (CID 68522575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).