N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide

C21H18BrNO — CID 162689999

IUPACN-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@H](c1ccccc1)N(C(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrNO/c1-16(17-8-4-2-5-9-17)23(20-14-12-19(22)13-15-20)21(24)18-10-6-3-7-11-18/h2-16H,1H3/t16-/m1/s1
InChIKeyPSLXAXQLBKZXFU-MRXNPFEDSA-N
MW380.29 g/mol
LogP5.86
Rot. Bonds4

About N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide

N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 162689999) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID162689999
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC NameN-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@H](c1ccccc1)N(C(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrNO/c1-16(17-8-4-2-5-9-17)23(20-14-12-19(22)13-15-20)21(24)18-10-6-3-7-11-18/h2-16H,1H3/t16-/m1/s1
InChIKeyPSLXAXQLBKZXFU-MRXNPFEDSA-N
XLogP5.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[(1R)-1-phenylethyl]-1-N,4-N-bis[4-(2-phenylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 101376470
N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
CID 101475849
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
1,3-diamino-1-(4-bromophenyl)-3-(1-phenylethyl)urea
CID 146417690
(2S)-2-(N-(4-bromophenyl)anilino)propanoic acid
CID 142700956
N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
CID 13262498
bromobenzene;2-methylpropanoic acid
CID 161414632
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(2-oxo-1,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 43833720
4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
CID 71399214
4-bromo-N-hydroxy-N-phenylbenzamide
CID 25115715
(2-bromo-6-propan-2-ylphenyl)-[(1R)-1-phenylethyl]carbamic acid
CID 122442062

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide (CID 162689999) is N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide is C[C@H](c1ccccc1)N(C(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is PSLXAXQLBKZXFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-16(17-8-4-2-5-9-17)23(20-14-12-19(22)13-15-20)21(24)18-10-6-3-7-11-18/h2-16H,1H3/t16-/m1/s1.
What are the key properties of N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide?
N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 380.29 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 162689999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).