2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H12ClNO3 — CID 66252015

IUPAC2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H12ClNO3/c1-6-3-2-4-9(13)10(6)14-11(15)7-5-8(7)12(16)17/h2-4,7-8H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJUPBJJIQVPLQMB-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.31
Rot. Bonds3

About 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 66252015) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID66252015
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H12ClNO3/c1-6-3-2-4-9(13)10(6)14-11(15)7-5-8(7)12(16)17/h2-4,7-8H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyJUPBJJIQVPLQMB-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
cis-(1R,3S)-3-[(2-chloro-6-methylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114092541
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
(1R,2S,3S,4R)-3-[(2-chloro-6-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 129434492
(1S,6R)-6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7109014
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
1-N-(2,6-dichlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131584
2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141218
N-(2-chloro-6-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66254364
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 66252015) is 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1cccc(Cl)c1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JUPBJJIQVPLQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-6-3-2-4-9(13)10(6)14-11(15)7-5-8(7)12(16)17/h2-4,7-8H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.68 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66252015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).