2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid

C19H19ClN2O4 — CID 25025738

IUPAC2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid
SMILESCCC(=O)c1cc(C)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H19ClN2O4/c1-3-17(23)13-8-11(2)14(20)9-16(13)21-10-18(24)22-15-7-5-4-6-12(15)19(25)26/h4-9,21H,3,10H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyVABVOFLREBCNRN-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.99
Rot. Bonds7

About 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid

2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid (PubChem CID 25025738) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid
PubChem CID25025738
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid
SMILESCCC(=O)c1cc(C)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H19ClN2O4/c1-3-17(23)13-8-11(2)14(20)9-16(13)21-10-18(24)22-15-7-5-4-6-12(15)19(25)26/h4-9,21H,3,10H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyVABVOFLREBCNRN-UHFFFAOYSA-N
XLogP3.99
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid with MolForge

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Related Compounds

2-[[2-[2-acetyl-5-(aminomethyl)-4-chloroanilino]acetyl]amino]benzoic acid
CID 150845378
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide
CID 17370124
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922845
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109011102
2-[[2-[3-chloro-4-(3-fluoro-2-oxopropyl)anilino]acetyl]amino]benzoic acid
CID 174556616
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid (CID 25025738) is 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid is CCC(=O)c1cc(C)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid?
The InChIKey is VABVOFLREBCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-3-17(23)13-8-11(2)14(20)9-16(13)21-10-18(24)22-15-7-5-4-6-12(15)19(25)26/h4-9,21H,3,10H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid?
2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid has a molecular weight of 374.82 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 25025738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).