4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid

C17H17ClN2O3 — CID 70534274

IUPAC4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCNc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-19-15-7-6-13(18)10-14(15)16(21)20-9-8-11-2-4-12(5-3-11)17(22)23/h2-7,10,19H,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyUUBRDQXKDREQFZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.05
Rot. Bonds6

About 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid

4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid (PubChem CID 70534274) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
PubChem CID70534274
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCNc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-19-15-7-6-13(18)10-14(15)16(21)20-9-8-11-2-4-12(5-3-11)17(22)23/h2-7,10,19H,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyUUBRDQXKDREQFZ-UHFFFAOYSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914
4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
CID 10569641
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
4-[2-[[5-chloro-2-(3,5-dimethylpiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 12919525
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
CID 71894222
4-[2-[[5-chloro-2-(4-methoxypiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535625
4-[2-[[5-chloro-2-(4-ethoxycarbonylpiperazin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535745
4-[2-[[2-(2-azabicyclo[3.3.1]nonan-2-yl)-5-chlorobenzoyl]amino]ethyl]benzoic acid
CID 13078637
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid (CID 70534274) is 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid is CNc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid?
The InChIKey is UUBRDQXKDREQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-19-15-7-6-13(18)10-14(15)16(21)20-9-8-11-2-4-12(5-3-11)17(22)23/h2-7,10,19H,8-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid?
4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid has a molecular weight of 332.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 70534274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).