4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide

C17H16BrFN2O2 — CID 7758173

IUPAC4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccccc1F
InChIInChI=1S/C17H16BrFN2O2/c18-14-7-5-12(6-8-14)17(23)20-10-9-16(22)21-11-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyXUFXVYFLJHKIFM-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.02
Rot. Bonds6

About 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide

4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 7758173) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID7758173
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccccc1F
InChIInChI=1S/C17H16BrFN2O2/c18-14-7-5-12(6-8-14)17(23)20-10-9-16(22)21-11-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyXUFXVYFLJHKIFM-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ChiRYun
CID 389617
N-[3-(benzoylamino)propyl]benzamide
CID 255782
3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
Benzamide, N,N'-1,6-hexanediylbis-
CID 219241
Bromadoline
CID 54753
3-bromo-N-(3-(tert-butylamino)propyl)benzamide
CID 78673861
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200
n-Benzyl-4-bromobenzamide
CID 781117

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide (CID 7758173) is 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccccc1F.
What is the InChIKey of 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is XUFXVYFLJHKIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-14-7-5-12(6-8-14)17(23)20-10-9-16(22)21-11-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 379.23 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 7758173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).