7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid

C15H20BrNO3 — CID 24702414

IUPAC7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3/c16-13-8-6-12(7-9-13)11-14(18)17-10-4-2-1-3-5-15(19)20/h6-9H,1-5,10-11H2,(H,17,18)(H,19,20)
InChIKeyULQSMTMTQBDCPQ-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.14
Rot. Bonds9

About 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid

7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid (PubChem CID 24702414) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
PubChem CID24702414
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3/c16-13-8-6-12(7-9-13)11-14(18)17-10-4-2-1-3-5-15(19)20/h6-9H,1-5,10-11H2,(H,17,18)(H,19,20)
InChIKeyULQSMTMTQBDCPQ-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425
7-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]heptanoic acid
CID 120524041
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
5-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 119234651

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid (CID 24702414) is 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid?
The InChIKey is ULQSMTMTQBDCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-13-8-6-12(7-9-13)11-14(18)17-10-4-2-1-3-5-15(19)20/h6-9H,1-5,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid?
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid has a molecular weight of 342.23 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid is sourced from PubChem (CID 24702414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).