2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H15ClN2O3 — CID 54868200

IUPAC2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-16(2)11-9(14)4-3-5-10(11)15-12(17)7-6-8(7)13(18)19/h3-5,7-8H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQDYLNNKCBKNNGI-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.07
Rot. Bonds4

About 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868200) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868200
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-16(2)11-9(14)4-3-5-10(11)15-12(17)7-6-8(7)13(18)19/h3-5,7-8H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQDYLNNKCBKNNGI-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66252015
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103925937
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 54868200) is 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CN(C)c1c(Cl)cccc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QDYLNNKCBKNNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-16(2)11-9(14)4-3-5-10(11)15-12(17)7-6-8(7)13(18)19/h3-5,7-8H,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).