4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid

C17H16BrNO3 — CID 18683979

IUPAC4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO3/c18-14-8-6-13(7-9-14)17(22)19-15-10-4-12(5-11-15)2-1-3-16(20)21/h4-11H,1-3H2,(H,19,22)(H,20,21)
InChIKeyOCMURAHYNLGKPQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.11
Rot. Bonds6

About 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid

4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid (PubChem CID 18683979) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
PubChem CID18683979
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO3/c18-14-8-6-13(7-9-14)17(22)19-15-10-4-12(5-11-15)2-1-3-16(20)21/h4-11H,1-3H2,(H,19,22)(H,20,21)
InChIKeyOCMURAHYNLGKPQ-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
CID 123843128
N-phenyl-4-(4-phenylbutanoyl)benzamide
CID 123756436
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
CID 15491493
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
5-(4-acetamidophenyl)pentanoic acid
CID 82255364
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid?
The IUPAC name of 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid (CID 18683979) is 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid is O=C(O)CCCc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid?
The InChIKey is OCMURAHYNLGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c18-14-8-6-13(7-9-14)17(22)19-15-10-4-12(5-11-15)2-1-3-16(20)21/h4-11H,1-3H2,(H,19,22)(H,20,21).
What are the key properties of 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid?
4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid has a molecular weight of 362.22 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid is sourced from PubChem (CID 18683979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).