1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

C19H20BrNO2 — CID 55521659

IUPAC1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrNO2/c1-21(13-14-5-3-4-6-17(14)23-2)18(22)19(11-12-19)15-7-9-16(20)10-8-15/h3-10H,11-13H2,1-2H3
InChIKeyWHKNHWOFJGGWAU-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 55521659) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID55521659
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrNO2/c1-21(13-14-5-3-4-6-17(14)23-2)18(22)19(11-12-19)15-7-9-16(20)10-8-15/h3-10H,11-13H2,1-2H3
InChIKeyWHKNHWOFJGGWAU-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
1-(4-bromophenyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 33281737
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246
1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55549481
4-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 63128870
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
CID 60650801
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 55521659) is 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is COc1ccccc1CN(C)C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is WHKNHWOFJGGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-21(13-14-5-3-4-6-17(14)23-2)18(22)19(11-12-19)15-7-9-16(20)10-8-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55521659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).