N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide

C16H17BrN2O — CID 47112206

IUPACN-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-5-4-6-13(9-12)10-18-11-16(20)19-15-8-3-2-7-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyIOHLSSRWBWOIGG-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.49
Rot. Bonds5

About N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide

N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide (PubChem CID 47112206) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
PubChem CID47112206
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-5-4-6-13(9-12)10-18-11-16(20)19-15-8-3-2-7-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyIOHLSSRWBWOIGG-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
N'-(2-bromo-4-methylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945667
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989583
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide (CID 47112206) is N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide is Cc1cccc(CNCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The InChIKey is IOHLSSRWBWOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-5-4-6-13(9-12)10-18-11-16(20)19-15-8-3-2-7-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 47112206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).