N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide

C19H20BrNO — CID 55429305

IUPACN-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H20BrNO/c1-21(14-15-8-10-17(20)11-9-15)18(22)19(12-5-13-19)16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3
InChIKeyOPKKMHRSTUGRJR-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.53
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 55429305) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
PubChem CID55429305
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H20BrNO/c1-21(14-15-8-10-17(20)11-9-15)18(22)19(12-5-13-19)16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3
InChIKeyOPKKMHRSTUGRJR-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 134041085
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 55521841
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
CID 30303125
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816373
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-[(4-bromophenyl)methyl]-1-cyano-N-methylcyclopentane-1-carboxamide
CID 60678400

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide (CID 55429305) is N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is OPKKMHRSTUGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c1-21(14-15-8-10-17(20)11-9-15)18(22)19(12-5-13-19)16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 358.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 55429305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).