2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid

C14H17ClN2O3 — CID 63723129

IUPAC2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
SMILESCCCN(C(=O)Nc1cccc(Cl)c1C(=O)O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-2-8-17(9-6-7-9)14(20)16-11-5-3-4-10(15)12(11)13(18)19/h3-5,9H,2,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGVZNOYHFWPWFMN-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid

2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid (PubChem CID 63723129) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
PubChem CID63723129
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
SMILESCCCN(C(=O)Nc1cccc(Cl)c1C(=O)O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-2-8-17(9-6-7-9)14(20)16-11-5-3-4-10(15)12(11)13(18)19/h3-5,9H,2,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGVZNOYHFWPWFMN-UHFFFAOYSA-N
XLogP3.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63723980
2-chloro-6-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 63723469
3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110903231
2-chloro-6-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 104553093
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid (CID 63723129) is 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid is CCCN(C(=O)Nc1cccc(Cl)c1C(=O)O)C1CC1.
What is the InChIKey of 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid?
The InChIKey is GVZNOYHFWPWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-8-17(9-6-7-9)14(20)16-11-5-3-4-10(15)12(11)13(18)19/h3-5,9H,2,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid?
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63723129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).