4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid

C17H15Cl2NO3 — CID 21037055

IUPAC4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c18-12-6-9-15(19)14(10-12)17(23)20-13-7-4-11(5-8-13)2-1-3-16(21)22/h4-10H,1-3H2,(H,20,23)(H,21,22)
InChIKeyTXBSNCOXXISGEB-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.65
Rot. Bonds6

About 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid

4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid (PubChem CID 21037055) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
PubChem CID21037055
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c18-12-6-9-15(19)14(10-12)17(23)20-13-7-4-11(5-8-13)2-1-3-16(21)22/h4-10H,1-3H2,(H,20,23)(H,21,22)
InChIKeyTXBSNCOXXISGEB-UHFFFAOYSA-N
XLogP4.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
CID 11291166
sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
CID 25217040
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2-iodobenzamide
CID 103771882
4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
CID 18683979
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
4-[4-(4-chloro-2-methylphenyl)phenyl]butanoic acid
CID 21437966
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid?
The IUPAC name of 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid (CID 21037055) is 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid is O=C(O)CCCc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid?
The InChIKey is TXBSNCOXXISGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-12-6-9-15(19)14(10-12)17(23)20-13-7-4-11(5-8-13)2-1-3-16(21)22/h4-10H,1-3H2,(H,20,23)(H,21,22).
What are the key properties of 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid?
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid has a molecular weight of 352.22 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid is sourced from PubChem (CID 21037055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).