2-amino-4-bromo-N-(3-phenylpropyl)benzamide

C16H17BrN2O — CID 79720097

IUPAC2-amino-4-bromo-N-(3-phenylpropyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C16H17BrN2O/c17-13-8-9-14(15(18)11-13)16(20)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,20)
InChIKeyBYEWOSUSSHWXIN-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.39
Rot. Bonds5

About 2-amino-4-bromo-N-(3-phenylpropyl)benzamide

2-amino-4-bromo-N-(3-phenylpropyl)benzamide (PubChem CID 79720097) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3-phenylpropyl)benzamide
PubChem CID79720097
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-amino-4-bromo-N-(3-phenylpropyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C16H17BrN2O/c17-13-8-9-14(15(18)11-13)16(20)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,20)
InChIKeyBYEWOSUSSHWXIN-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(3-phenylpropyl)benzamide (CID 79720097) is 2-amino-4-bromo-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(3-phenylpropyl)benzamide is Nc1cc(Br)ccc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-amino-4-bromo-N-(3-phenylpropyl)benzamide?
The InChIKey is BYEWOSUSSHWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-13-8-9-14(15(18)11-13)16(20)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,20).
What are the key properties of 2-amino-4-bromo-N-(3-phenylpropyl)benzamide?
2-amino-4-bromo-N-(3-phenylpropyl)benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 79720097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).