2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid

C14H18ClN3O3 — CID 63723980

IUPAC2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
SMILESCN(CCNC(=O)Nc1cccc(Cl)c1C(=O)O)C1CC1
InChIInChI=1S/C14H18ClN3O3/c1-18(9-5-6-9)8-7-16-14(21)17-11-4-2-3-10(15)12(11)13(19)20/h2-4,9H,5-8H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNUPOREXOOFBPKG-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.25
Rot. Bonds6

About 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid

2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid (PubChem CID 63723980) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
PubChem CID63723980
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid
SMILESCN(CCNC(=O)Nc1cccc(Cl)c1C(=O)O)C1CC1
InChIInChI=1S/C14H18ClN3O3/c1-18(9-5-6-9)8-7-16-14(21)17-11-4-2-3-10(15)12(11)13(19)20/h2-4,9H,5-8H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNUPOREXOOFBPKG-UHFFFAOYSA-N
XLogP2.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
2-chloro-6-[3-(cyclopropylamino)propylcarbamoylamino]benzoic acid
CID 63722452
2-chloro-6-[[cyclopropyl(propyl)carbamoyl]amino]benzoic acid
CID 63723129
2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 63723631
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429053
2-chloro-6-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 63723469
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467374
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-chloro-6-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63724324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid (CID 63723980) is 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid is CN(CCNC(=O)Nc1cccc(Cl)c1C(=O)O)C1CC1.
What is the InChIKey of 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
The InChIKey is NUPOREXOOFBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-18(9-5-6-9)8-7-16-14(21)17-11-4-2-3-10(15)12(11)13(19)20/h2-4,9H,5-8H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid has a molecular weight of 311.77 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]benzoic acid is sourced from PubChem (CID 63723980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).