(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid

C11H12ClNO2 — CID 69481778

IUPAC(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H12ClNO2/c1-3-6-13(11(14)15)10-5-4-9(12)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,14,15)
InChIKeyRQXPWJCDQDUSJX-UHFFFAOYSA-N
MW225.68 g/mol
LogP3.32
Rot. Bonds3

About (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid

(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid (PubChem CID 69481778) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
PubChem CID69481778
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H12ClNO2/c1-3-6-13(11(14)15)10-5-4-9(12)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,14,15)
InChIKeyRQXPWJCDQDUSJX-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516758
2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
CID 83560488
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
N-(4-chloro-2-methylphenyl)-3-nitro-N-prop-2-enylbenzenesulfonamide
CID 100522140
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
(2,2-dimethyl-3H-1-benzofuran-7-yl)-prop-2-enylcarbamic acid
CID 70451992

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid?
The IUPAC name of (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid (CID 69481778) is (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid.
What is the SMILES notation for (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid?
The canonical SMILES for (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid is C=CCN(C(=O)O)c1ccc(Cl)cc1C.
What is the InChIKey of (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid?
The InChIKey is RQXPWJCDQDUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-3-6-13(11(14)15)10-5-4-9(12)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,14,15).
What are the key properties of (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid?
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid has a molecular weight of 225.68 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid is sourced from PubChem (CID 69481778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).