N-(3-amino-3-phenylpropyl)-3-bromobenzamide

C16H17BrN2O — CID 80506719

IUPACN-(3-amino-3-phenylpropyl)-3-bromobenzamide
SMILESNC(CCNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c17-14-8-4-7-13(11-14)16(20)19-10-9-15(18)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20)
InChIKeyHQXBORFEOJHXAQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.27
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-3-bromobenzamide

N-(3-amino-3-phenylpropyl)-3-bromobenzamide (PubChem CID 80506719) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-bromobenzamide
PubChem CID80506719
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(3-amino-3-phenylpropyl)-3-bromobenzamide
SMILESNC(CCNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c17-14-8-4-7-13(11-14)16(20)19-10-9-15(18)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20)
InChIKeyHQXBORFEOJHXAQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)-2-(3-bromophenyl)acetamide
CID 80506871
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872845
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
2-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride
CID 119312108
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-bromobenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-bromobenzamide (CID 80506719) is N-(3-amino-3-phenylpropyl)-3-bromobenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-bromobenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-bromobenzamide is NC(CCNC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-bromobenzamide?
The InChIKey is HQXBORFEOJHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-14-8-4-7-13(11-14)16(20)19-10-9-15(18)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-bromobenzamide?
N-(3-amino-3-phenylpropyl)-3-bromobenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3-bromobenzamide is sourced from PubChem (CID 80506719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).