N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide

C19H21BrN2O2 — CID 51195725

IUPACN-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC(C)c1ccccc1Br)NC(=O)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-13(21-19(24)15-8-4-3-5-9-15)12-18(23)22-14(2)16-10-6-7-11-17(16)20/h3-11,13-14H,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFBOKUOPWGHHGCZ-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.83
Rot. Bonds6

About N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide

N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide (PubChem CID 51195725) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
PubChem CID51195725
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC(C)c1ccccc1Br)NC(=O)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-13(21-19(24)15-8-4-3-5-9-15)12-18(23)22-14(2)16-10-6-7-11-17(16)20/h3-11,13-14H,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFBOKUOPWGHHGCZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]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

3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867337
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide (CID 51195725) is N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NC(C)c1ccccc1Br)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide?
The InChIKey is FBOKUOPWGHHGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(21-19(24)15-8-4-3-5-9-15)12-18(23)22-14(2)16-10-6-7-11-17(16)20/h3-11,13-14H,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide?
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51195725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).