N-benzyl-2-(4-bromophenyl)-N-phenylacetamide

C21H18BrNO — CID 18281131

IUPACN-benzyl-2-(4-bromophenyl)-N-phenylacetamide
SMILESO=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18BrNO/c22-19-13-11-17(12-14-19)15-21(24)23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2
InChIKeyGAPBWBONBUDVIJ-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.22
Rot. Bonds5

About N-benzyl-2-(4-bromophenyl)-N-phenylacetamide

N-benzyl-2-(4-bromophenyl)-N-phenylacetamide (PubChem CID 18281131) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)-N-phenylacetamide
PubChem CID18281131
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC NameN-benzyl-2-(4-bromophenyl)-N-phenylacetamide
SMILESO=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18BrNO/c22-19-13-11-17(12-14-19)15-21(24)23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2
InChIKeyGAPBWBONBUDVIJ-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-benzyl-2-(4-bromophenyl)sulfanyl-N-phenylacetamide
CID 39075033
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(4-bromophenyl)-N-phenylacetamide (CID 18281131) is N-benzyl-2-(4-bromophenyl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)-N-phenylacetamide is O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)-N-phenylacetamide?
The InChIKey is GAPBWBONBUDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c22-19-13-11-17(12-14-19)15-21(24)23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2.
What are the key properties of N-benzyl-2-(4-bromophenyl)-N-phenylacetamide?
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide has a molecular weight of 380.29 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)-N-phenylacetamide is sourced from PubChem (CID 18281131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).