3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide

C21H18BrNO — CID 112789618

IUPAC3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide
SMILESO=C(CCc1cccc(Br)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18BrNO/c22-18-10-6-7-16(15-18)13-14-21(24)23-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-12,15H,13-14H2,(H,23,24)
InChIKeySYRASZAVZSYQPP-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.69
Rot. Bonds5

About 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide

3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide (PubChem CID 112789618) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide
PubChem CID112789618
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide
SMILESO=C(CCc1cccc(Br)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18BrNO/c22-18-10-6-7-16(15-18)13-14-21(24)23-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-12,15H,13-14H2,(H,23,24)
InChIKeySYRASZAVZSYQPP-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-bromo-2-(3-phenylpropanoylamino)benzoic acid
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3-[3-(3-bromophenyl)propanoylamino]propanoic acid
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N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide (CID 112789618) is 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide is O=C(CCc1cccc(Br)c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide?
The InChIKey is SYRASZAVZSYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c22-18-10-6-7-16(15-18)13-14-21(24)23-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-12,15H,13-14H2,(H,23,24).
What are the key properties of 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide?
3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide has a molecular weight of 380.29 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 112789618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).