2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid

C23H20ClNO4 — CID 24738387

IUPAC2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1C(=O)O
InChIInChI=1S/C23H20ClNO4/c1-15(2)25(22(26)16-8-10-17(24)11-9-16)21-13-12-19(14-20(21)23(27)28)29-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,28)
InChIKeyWOAORPOVVRHEOQ-UHFFFAOYSA-N
MW409.87 g/mol
LogP5.89
Rot. Bonds6

About 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid

2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid (PubChem CID 24738387) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
PubChem CID24738387
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1C(=O)O
InChIInChI=1S/C23H20ClNO4/c1-15(2)25(22(26)16-8-10-17(24)11-9-16)21-13-12-19(14-20(21)23(27)28)29-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,28)
InChIKeyWOAORPOVVRHEOQ-UHFFFAOYSA-N
XLogP5.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid
CID 24738388
2-[(3,4-dichlorobenzoyl)-propan-2-ylamino]-5-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 24738551
2-[(5-chloropyridine-2-carbonyl)-propan-2-ylamino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 42599063
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
1-(4-chlorophenyl)ethyl 3-phenoxybenzoate
CID 71466952
N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-4-phenoxybenzoic acid
CID 72725125
4-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-N-propan-2-ylbenzamide;titanium
CID 174383702
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023421

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid (CID 24738387) is 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid is CC(C)N(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
The InChIKey is WOAORPOVVRHEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-15(2)25(22(26)16-8-10-17(24)11-9-16)21-13-12-19(14-20(21)23(27)28)29-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,28).
What are the key properties of 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid?
2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid has a molecular weight of 409.87 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)-propan-2-ylamino]-5-phenoxybenzoic acid is sourced from PubChem (CID 24738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).