2,5-dichloro-3-(propanoylamino)benzoic acid

C10H9Cl2NO3 — CID 118989424

IUPAC2,5-dichloro-3-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-2-8(14)13-7-4-5(11)3-6(9(7)12)10(15)16/h3-4H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyLDFJWHDSHVPGPC-UHFFFAOYSA-N
MW262.09 g/mol
LogP3.04
Rot. Bonds3

About 2,5-dichloro-3-(propanoylamino)benzoic acid

2,5-dichloro-3-(propanoylamino)benzoic acid (PubChem CID 118989424) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2,5-dichloro-3-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-(propanoylamino)benzoic acid
PubChem CID118989424
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2,5-dichloro-3-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-2-8(14)13-7-4-5(11)3-6(9(7)12)10(15)16/h3-4H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyLDFJWHDSHVPGPC-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 804402
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
3,5-dichloro-2-(propanoylcarbamothioylamino)benzoic acid
CID 960380
N-(2,4-dichlorophenyl)propanamide
CID 923083
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid
CID 70874089
N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide
CID 70986346
5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-(3-chloro-4-fluoro-2-methylphenyl)propanamide
CID 159195412

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(propanoylamino)benzoic acid?
The IUPAC name of 2,5-dichloro-3-(propanoylamino)benzoic acid (CID 118989424) is 2,5-dichloro-3-(propanoylamino)benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-(propanoylamino)benzoic acid?
The canonical SMILES for 2,5-dichloro-3-(propanoylamino)benzoic acid is CCC(=O)Nc1cc(Cl)cc(C(=O)O)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(propanoylamino)benzoic acid?
The InChIKey is LDFJWHDSHVPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-2-8(14)13-7-4-5(11)3-6(9(7)12)10(15)16/h3-4H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2,5-dichloro-3-(propanoylamino)benzoic acid?
2,5-dichloro-3-(propanoylamino)benzoic acid has a molecular weight of 262.09 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(propanoylamino)benzoic acid is sourced from PubChem (CID 118989424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).