4-[4-(4-chlorobenzoyl)anilino]butanoic acid

C17H16ClNO3 — CID 14072049

IUPAC4-[4-(4-chlorobenzoyl)anilino]butanoic acid
SMILESO=C(O)CCCNc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c18-14-7-3-12(4-8-14)17(22)13-5-9-15(10-6-13)19-11-1-2-16(20)21/h3-10,19H,1-2,11H2,(H,20,21)
InChIKeyBEZXATFYRQYUDL-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.85
Rot. Bonds7

About 4-[4-(4-chlorobenzoyl)anilino]butanoic acid

4-[4-(4-chlorobenzoyl)anilino]butanoic acid (PubChem CID 14072049) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 4-[4-(4-chlorobenzoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[4-(4-chlorobenzoyl)anilino]butanoic acid
PubChem CID14072049
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name4-[4-(4-chlorobenzoyl)anilino]butanoic acid
SMILESO=C(O)CCCNc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO3/c18-14-7-3-12(4-8-14)17(22)13-5-9-15(10-6-13)19-11-1-2-16(20)21/h3-10,19H,1-2,11H2,(H,20,21)
InChIKeyBEZXATFYRQYUDL-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
5-anilinopentanoic acid
CID 28972030
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
4-[(5-chloro-2-pyridinyl)amino]butanoic acid
CID 24698899
4-[4-(benzenesulfonyl)anilino]butanoic acid
CID 90075907
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877
6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid
CID 22152207
4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
CID 20984298
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorobenzoyl)anilino]butanoic acid?
The IUPAC name of 4-[4-(4-chlorobenzoyl)anilino]butanoic acid (CID 14072049) is 4-[4-(4-chlorobenzoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[4-(4-chlorobenzoyl)anilino]butanoic acid?
The canonical SMILES for 4-[4-(4-chlorobenzoyl)anilino]butanoic acid is O=C(O)CCCNc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorobenzoyl)anilino]butanoic acid?
The InChIKey is BEZXATFYRQYUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-14-7-3-12(4-8-14)17(22)13-5-9-15(10-6-13)19-11-1-2-16(20)21/h3-10,19H,1-2,11H2,(H,20,21).
What are the key properties of 4-[4-(4-chlorobenzoyl)anilino]butanoic acid?
4-[4-(4-chlorobenzoyl)anilino]butanoic acid has a molecular weight of 317.77 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorobenzoyl)anilino]butanoic acid is sourced from PubChem (CID 14072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).