2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

C18H21BrN2O — CID 4876507

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(2)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyDTTMFMKEELJZBE-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.76
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 4876507) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID4876507
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(2)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyDTTMFMKEELJZBE-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
N-[1-(4-bromophenyl)ethyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 55354120
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
N-[1-(4-bromophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801665
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (CID 4876507) is 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is DTTMFMKEELJZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(2)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4876507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).