1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide

C20H22BrFN2O — CID 46438158

IUPAC1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H22BrFN2O/c1-24(2)18(14-4-3-5-17(22)12-14)13-23-19(25)20(10-11-20)15-6-8-16(21)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyXHVLPILLTZMSMG-UHFFFAOYSA-N
MW405.31 g/mol
LogP4.04
Rot. Bonds6

About 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 46438158) has the molecular formula C20H22BrFN2O and a molecular weight of 405.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID46438158
Molecular FormulaC20H22BrFN2O
Molecular Weight405.31 g/mol
Exact Mass404.09
IUPAC Name1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H22BrFN2O/c1-24(2)18(14-4-3-5-17(22)12-14)13-23-19(25)20(10-11-20)15-6-8-16(21)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyXHVLPILLTZMSMG-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 95268454
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55539130
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 46438158) is 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide is CN(C)C(CNC(=O)C1(c2ccc(Br)cc2)CC1)c1cccc(F)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is XHVLPILLTZMSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN2O/c1-24(2)18(14-4-3-5-17(22)12-14)13-23-19(25)20(10-11-20)15-6-8-16(21)9-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 405.31 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46438158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).