3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide

C16H15BrN2O2 — CID 94157840

IUPAC3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-18-16(21)14(11-6-3-2-4-7-11)19-15(20)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyVUDHWOJUUCPUOX-AWEZNQCLSA-N
MW347.21 g/mol
LogP2.67
Rot. Bonds4

About 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide

3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 94157840) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
PubChem CID94157840
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-18-16(21)14(11-6-3-2-4-7-11)19-15(20)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyVUDHWOJUUCPUOX-AWEZNQCLSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 112842183
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082
3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 25118291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide (CID 94157840) is 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide is CNC(=O)[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is VUDHWOJUUCPUOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-18-16(21)14(11-6-3-2-4-7-11)19-15(20)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 347.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 94157840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).