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

C18H19ClN2O3 — CID 10569641

IUPAC4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCN(C)c1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)16-8-7-14(19)11-15(16)17(22)20-10-9-12-3-5-13(6-4-12)18(23)24/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLHEZMLSEAQPXQY-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.08
Rot. Bonds6

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

4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid (PubChem CID 10569641) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
PubChem CID10569641
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCN(C)c1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)16-8-7-14(19)11-15(16)17(22)20-10-9-12-3-5-13(6-4-12)18(23)24/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLHEZMLSEAQPXQY-UHFFFAOYSA-N
XLogP3.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[5-chloro-2-(methylamino)benzoyl]amino]ethyl]benzoic acid
CID 70534274
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914
4-[2-[[2-[butyl(cyclohexyl)amino]-5-chlorobenzoyl]amino]ethyl]benzoic acid
CID 12919563
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
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
4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
CID 71894222
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
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
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid (CID 10569641) is 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid is CN(C)c1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid?
The InChIKey is LHEZMLSEAQPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(2)16-8-7-14(19)11-15(16)17(22)20-10-9-12-3-5-13(6-4-12)18(23)24/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid?
4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid has a molecular weight of 346.81 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-chloro-2-(dimethylamino)benzoyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 10569641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).