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

C18H19ClN2O3 — CID 70530914

IUPAC4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCCNc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-20-16-8-7-14(19)11-15(16)17(22)21-10-9-12-3-5-13(6-4-12)18(23)24/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyYUSNOTLRPBDPNH-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.44
Rot. Bonds7

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

4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid (PubChem CID 70530914) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
PubChem CID70530914
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCCNc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-20-16-8-7-14(19)11-15(16)17(22)21-10-9-12-3-5-13(6-4-12)18(23)24/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyYUSNOTLRPBDPNH-UHFFFAOYSA-N
XLogP3.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.44
H-Bond Donors ≤ 53
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-(dimethylamino)benzoyl]amino]ethyl]benzoic acid
CID 10569641
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
CID 103529977
4-[2-[[5-chloro-2-(3,5-dimethylpiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 12919525
4-[2-[[5-chloro-2-(4-ethoxycarbonylpiperazin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535745
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 103529940

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid (CID 70530914) is 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid is CCNc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid?
The InChIKey is YUSNOTLRPBDPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-20-16-8-7-14(19)11-15(16)17(22)21-10-9-12-3-5-13(6-4-12)18(23)24/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid?
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid has a molecular weight of 346.81 g/mol, XLogP of 3.44, 7 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-(ethylamino)benzoyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 70530914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).