4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid

C14H19ClN2O3 — CID 61194941

IUPAC4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
SMILESCCN(CC(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-4-17(8-9(2)3)14(20)16-12-7-10(15)5-6-11(12)13(18)19/h5-7,9H,4,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyROZADQODYSUHJD-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.55
Rot. Bonds5

About 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid

4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid (PubChem CID 61194941) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
PubChem CID61194941
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
SMILESCCN(CC(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-4-17(8-9(2)3)14(20)16-12-7-10(15)5-6-11(12)13(18)19/h5-7,9H,4,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyROZADQODYSUHJD-UHFFFAOYSA-N
XLogP3.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]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

4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
CID 79379273
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
4-chloro-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62335862
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
3-[(5-chloro-2-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852461
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
4-chloro-2-(3-methylbutylamino)benzoic acid
CID 63510016
2-bromo-5-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296697
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid (CID 61194941) is 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid is CCN(CC(C)C)C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
The InChIKey is ROZADQODYSUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-17(8-9(2)3)14(20)16-12-7-10(15)5-6-11(12)13(18)19/h5-7,9H,4,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid has a molecular weight of 298.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61194941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).