2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid

C13H15ClN2O3 — CID 63724321

IUPAC2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CC1)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-16(7-8-5-6-8)13(19)15-10-4-2-3-9(14)11(10)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyXCFNPNYVUCPQDD-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.91
Rot. Bonds4

About 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid

2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 63724321) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID63724321
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CC1)C(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C13H15ClN2O3/c1-16(7-8-5-6-8)13(19)15-10-4-2-3-9(14)11(10)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyXCFNPNYVUCPQDD-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
2-chloro-6-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 63723469
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63723980
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63860051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid (CID 63724321) is 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid is CN(CC1CC1)C(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is XCFNPNYVUCPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-16(7-8-5-6-8)13(19)15-10-4-2-3-9(14)11(10)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid?
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 282.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63724321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).