N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide

C28H23BrN2O2 — CID 41190592

IUPACN-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C28H23BrN2O2/c29-24-16-18-25(19-17-24)30-27(32)26(22-12-6-2-7-13-22)31(20-21-10-4-1-5-11-21)28(33)23-14-8-3-9-15-23/h1-19,26H,20H2,(H,30,32)/t26-/m1/s1
InChIKeyRYUMWGKNCADTIY-AREMUKBSSA-N
MW499.41 g/mol
LogP6.47
Rot. Bonds7

About N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide

N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 41190592) has the molecular formula C28H23BrN2O2 and a molecular weight of 499.41 g/mol. Its IUPAC name is N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide
PubChem CID41190592
Molecular FormulaC28H23BrN2O2
Molecular Weight499.41 g/mol
Exact Mass498.09
IUPAC NameN-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C28H23BrN2O2/c29-24-16-18-25(19-17-24)30-27(32)26(22-12-6-2-7-13-22)31(20-21-10-4-1-5-11-21)28(33)23-14-8-3-9-15-23/h1-19,26H,20H2,(H,30,32)/t26-/m1/s1
InChIKeyRYUMWGKNCADTIY-AREMUKBSSA-N
XLogP6.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42657009
benzyl-[2-oxo-1-phenyl-2-(2-phenylhydrazinyl)ethyl]carbamic acid
CID 57371754
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133214951
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
2-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylacetic acid
CID 1486424
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 118246756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide (CID 41190592) is N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide is O=C(Nc1ccc(Br)cc1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is RYUMWGKNCADTIY-AREMUKBSSA-N. The full InChI is InChI=1S/C28H23BrN2O2/c29-24-16-18-25(19-17-24)30-27(32)26(22-12-6-2-7-13-22)31(20-21-10-4-1-5-11-21)28(33)23-14-8-3-9-15-23/h1-19,26H,20H2,(H,30,32)/t26-/m1/s1.
What are the key properties of N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide?
N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 499.41 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1R)-2-(4-bromoanilino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 41190592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).