2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid

C17H15Cl2NO4 — CID 28672335

IUPAC2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-9(2)24-11-5-3-4-10(6-11)16(21)20-15-7-12(17(22)23)13(18)8-14(15)19/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChIKeyVLHQGCDBKNZMFT-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.73
Rot. Bonds5

About 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid

2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid (PubChem CID 28672335) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid
PubChem CID28672335
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-9(2)24-11-5-3-4-10(6-11)16(21)20-15-7-12(17(22)23)13(18)8-14(15)19/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChIKeyVLHQGCDBKNZMFT-UHFFFAOYSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 3737122
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid (CID 28672335) is 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid is CC(C)Oc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid?
The InChIKey is VLHQGCDBKNZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-9(2)24-11-5-3-4-10(6-11)16(21)20-15-7-12(17(22)23)13(18)8-14(15)19/h3-9H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid?
2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid has a molecular weight of 368.22 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3-propan-2-yloxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 28672335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).