2-chloro-6-(pentanoylamino)benzoic acid

C12H14ClNO3 — CID 55231346

IUPAC2-chloro-6-(pentanoylamino)benzoic acid
SMILESCCCCC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H14ClNO3/c1-2-3-7-10(15)14-9-6-4-5-8(13)11(9)12(16)17/h4-6H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMUHWVIAOFHNBKN-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-6-(pentanoylamino)benzoic acid

2-chloro-6-(pentanoylamino)benzoic acid (PubChem CID 55231346) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-6-(pentanoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(pentanoylamino)benzoic acid
PubChem CID55231346
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-chloro-6-(pentanoylamino)benzoic acid
SMILESCCCCC(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H14ClNO3/c1-2-3-7-10(15)14-9-6-4-5-8(13)11(9)12(16)17/h4-6H,2-3,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMUHWVIAOFHNBKN-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
N-(2-chlorophenyl)hexanamide
CID 4644560
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
N-(2-chlorophenyl)octanamide
CID 2292983
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
2-chloro-3-(hexanoylamino)benzoic acid
CID 58066004
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pentanoylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(pentanoylamino)benzoic acid (CID 55231346) is 2-chloro-6-(pentanoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(pentanoylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(pentanoylamino)benzoic acid is CCCCC(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(pentanoylamino)benzoic acid?
The InChIKey is MUHWVIAOFHNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-2-3-7-10(15)14-9-6-4-5-8(13)11(9)12(16)17/h4-6H,2-3,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-6-(pentanoylamino)benzoic acid?
2-chloro-6-(pentanoylamino)benzoic acid has a molecular weight of 255.70 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(pentanoylamino)benzoic acid is sourced from PubChem (CID 55231346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).