N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C18H20BrNO2 — CID 78780684

IUPACN-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-20(13-15-5-3-4-6-17(15)19)18(21)12-9-14-7-10-16(22-2)11-8-14/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyHZJPCOCGMJTYNL-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.05
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 78780684) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID78780684
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-20(13-15-5-3-4-6-17(15)19)18(21)12-9-14-7-10-16(22-2)11-8-14/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyHZJPCOCGMJTYNL-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
N-[(2-bromophenyl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 34866908
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
1-[(2-bromophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methylthiourea
CID 8768682
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 78780684) is N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)Cc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is HZJPCOCGMJTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-20(13-15-5-3-4-6-17(15)19)18(21)12-9-14-7-10-16(22-2)11-8-14/h3-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 362.27 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 78780684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).