2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

C18H21BrN2O — CID 27204661

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2ccccc2Br)c1C
InChIInChI=1S/C18H21BrN2O/c1-13-7-6-10-17(14(13)2)20-18(22)12-21(3)11-15-8-4-5-9-16(15)19/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyPAEXVGSKMKFWDU-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.14
Rot. Bonds5

About 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 27204661) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID27204661
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2ccccc2Br)c1C
InChIInChI=1S/C18H21BrN2O/c1-13-7-6-10-17(14(13)2)20-18(22)12-21(3)11-15-8-4-5-9-16(15)19/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyPAEXVGSKMKFWDU-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
2-[(2-bromophenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27204672
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
methyl 3-[[2-[(2-bromophenyl)methyl-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24565660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 27204661) is 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)Cc2ccccc2Br)c1C.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PAEXVGSKMKFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13-7-6-10-17(14(13)2)20-18(22)12-21(3)11-15-8-4-5-9-16(15)19/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 27204661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).