2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide

C19H19Br2FN2O2 — CID 55795726

IUPAC2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C19H19Br2FN2O2/c1-12(10-13-2-4-14(20)5-3-13)24-18(25)8-9-23-19(26)16-11-15(22)6-7-17(16)21/h2-7,11-12H,8-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyVXYQUZGTYAPHOC-UHFFFAOYSA-N
MW486.18 g/mol
LogP4.22
Rot. Bonds7

About 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide

2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide (PubChem CID 55795726) has the molecular formula C19H19Br2FN2O2 and a molecular weight of 486.18 g/mol. Its IUPAC name is 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide
PubChem CID55795726
Molecular FormulaC19H19Br2FN2O2
Molecular Weight486.18 g/mol
Exact Mass483.98
IUPAC Name2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C19H19Br2FN2O2/c1-12(10-13-2-4-14(20)5-3-13)24-18(25)8-9-23-19(26)16-11-15(22)6-7-17(16)21/h2-7,11-12H,8-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyVXYQUZGTYAPHOC-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.18
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide 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

2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]butanoic acid
CID 119223499
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
CID 55796389
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2-bromo-5-fluoro-N-[3-[(2-methyl-1-thiophen-2-ylpropyl)amino]-3-oxopropyl]benzamide
CID 55792738
2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
CID 78889647
2-bromo-5-fluoro-N-[3-[[4-(2-methylpropoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55896930
2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]acetic acid
CID 119137083
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide (CID 55795726) is 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide is CC(Cc1ccc(Br)cc1)NC(=O)CCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide?
The InChIKey is VXYQUZGTYAPHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2FN2O2/c1-12(10-13-2-4-14(20)5-3-13)24-18(25)8-9-23-19(26)16-11-15(22)6-7-17(16)21/h2-7,11-12H,8-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide?
2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide has a molecular weight of 486.18 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide is sourced from PubChem (CID 55795726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).