N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide

C17H18BrNO — CID 60739656

IUPACN-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO/c1-13-6-8-14(9-7-13)10-11-17(20)19-12-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyUQSHBQMAGDMWKF-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.01
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide

N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide (PubChem CID 60739656) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
PubChem CID60739656
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C17H18BrNO/c1-13-6-8-14(9-7-13)10-11-17(20)19-12-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyUQSHBQMAGDMWKF-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide (CID 60739656) is N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is UQSHBQMAGDMWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-13-6-8-14(9-7-13)10-11-17(20)19-12-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide?
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 332.24 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 60739656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).