2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C18H18BrNO2 — CID 49156347

IUPAC2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2c2cccc(Br)c2)cc1
InChIInChI=1S/C18H18BrNO2/c1-22-15-7-5-12(6-8-15)11-20-18(21)17-10-16(17)13-3-2-4-14(19)9-13/h2-9,16-17H,10-11H2,1H3,(H,20,21)
InChIKeyPOQQLIQVQPYKLU-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.88
Rot. Bonds5

About 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide

2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 49156347) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID49156347
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2c2cccc(Br)c2)cc1
InChIInChI=1S/C18H18BrNO2/c1-22-15-7-5-12(6-8-15)11-20-18(21)17-10-16(17)13-3-2-4-14(19)9-13/h2-9,16-17H,10-11H2,1H3,(H,20,21)
InChIKeyPOQQLIQVQPYKLU-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
cis-(1S,2R)-2-(3-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801447
2-(3-bromophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928938
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
trans-(1S,2S)-2-(3-bromophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94800328

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 49156347) is 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2CC2c2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is POQQLIQVQPYKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-22-15-7-5-12(6-8-15)11-20-18(21)17-10-16(17)13-3-2-4-14(19)9-13/h2-9,16-17H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 360.25 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49156347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).