2-chloro-5-(2-chloropropanoylamino)benzoic acid

C10H9Cl2NO3 — CID 43701854

IUPAC2-chloro-5-(2-chloropropanoylamino)benzoic acid
SMILESCC(Cl)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H9Cl2NO3/c1-5(11)9(14)13-6-2-3-8(12)7(4-6)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyHJVANLRHHCJGSU-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.60
Rot. Bonds3

About 2-chloro-5-(2-chloropropanoylamino)benzoic acid

2-chloro-5-(2-chloropropanoylamino)benzoic acid (PubChem CID 43701854) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-chloro-5-(2-chloropropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-chloropropanoylamino)benzoic acid
PubChem CID43701854
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-chloro-5-(2-chloropropanoylamino)benzoic acid
SMILESCC(Cl)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H9Cl2NO3/c1-5(11)9(14)13-6-2-3-8(12)7(4-6)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyHJVANLRHHCJGSU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
2-chloro-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid
CID 23772380
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chloropropanoylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(2-chloropropanoylamino)benzoic acid (CID 43701854) is 2-chloro-5-(2-chloropropanoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-chloropropanoylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-chloropropanoylamino)benzoic acid is CC(Cl)C(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2-chloropropanoylamino)benzoic acid?
The InChIKey is HJVANLRHHCJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-5(11)9(14)13-6-2-3-8(12)7(4-6)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-chloro-5-(2-chloropropanoylamino)benzoic acid?
2-chloro-5-(2-chloropropanoylamino)benzoic acid has a molecular weight of 262.09 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chloropropanoylamino)benzoic acid is sourced from PubChem (CID 43701854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).