N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide

C16H17BrN2O — CID 60902471

IUPACN-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O/c1-12-3-2-4-13(9-12)10-18-11-16(20)19-15-7-5-14(17)6-8-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyQTRHMWNWWLVDNM-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.49
Rot. Bonds5

About N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide

N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide (PubChem CID 60902471) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
PubChem CID60902471
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O/c1-12-3-2-4-13(9-12)10-18-11-16(20)19-15-7-5-14(17)6-8-15/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyQTRHMWNWWLVDNM-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-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
CID 60919142
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide (CID 60902471) is N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide is Cc1cccc(CNCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
The InChIKey is QTRHMWNWWLVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-3-2-4-13(9-12)10-18-11-16(20)19-15-7-5-14(17)6-8-15/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide?
N-(4-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-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 60902471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).