2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid

C18H18ClNO5 — CID 28675057

IUPAC2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C18H18ClNO5/c1-3-24-13-7-11(8-14(10-13)25-4-2)17(21)20-12-5-6-15(18(22)23)16(19)9-12/h5-10H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOECPBPCMTRNYKP-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.09
Rot. Bonds7

About 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid

2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid (PubChem CID 28675057) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
PubChem CID28675057
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C18H18ClNO5/c1-3-24-13-7-11(8-14(10-13)25-4-2)17(21)20-12-5-6-15(18(22)23)16(19)9-12/h5-10H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOECPBPCMTRNYKP-UHFFFAOYSA-N
XLogP4.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
5-[(3,5-diethoxybenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
CID 28675077
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid (CID 28675057) is 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid is CCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid?
The InChIKey is OECPBPCMTRNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-3-24-13-7-11(8-14(10-13)25-4-2)17(21)20-12-5-6-15(18(22)23)16(19)9-12/h5-10H,3-4H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid?
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid has a molecular weight of 363.80 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 28675057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).