N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide

C21H16BrNO2 — CID 6991228

IUPACN-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(N[C@H](C(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16BrNO2/c22-18-13-11-16(12-14-18)20(24)19(15-7-3-1-4-8-15)23-21(25)17-9-5-2-6-10-17/h1-14,19H,(H,23,25)/t19-/m0/s1
InChIKeyQDTXCQLRCXOZRZ-IBGZPJMESA-N
MW394.27 g/mol
LogP4.80
Rot. Bonds5

About N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide

N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide (PubChem CID 6991228) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
PubChem CID6991228
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC NameN-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
SMILESO=C(N[C@H](C(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16BrNO2/c22-18-13-11-16(12-14-18)20(24)19(15-7-3-1-4-8-15)23-21(25)17-9-5-2-6-10-17/h1-14,19H,(H,23,25)/t19-/m0/s1
InChIKeyQDTXCQLRCXOZRZ-IBGZPJMESA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
1,4-bis(4-bromophenyl)-2,3-diphenylbutane-1,4-dione
CID 134852094
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide (CID 6991228) is N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide is O=C(N[C@H](C(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is QDTXCQLRCXOZRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16BrNO2/c22-18-13-11-16(12-14-18)20(24)19(15-7-3-1-4-8-15)23-21(25)17-9-5-2-6-10-17/h1-14,19H,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide?
N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 394.27 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 6991228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).