1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide

C16H22BrNO — CID 115612940

IUPAC1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
SMILESCCC(CC)CNC(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO/c1-3-12(4-2)11-18-15(19)16(9-10-16)13-5-7-14(17)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyYIYALZBAMHJQLQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide (PubChem CID 115612940) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
PubChem CID115612940
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
SMILESCCC(CC)CNC(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO/c1-3-12(4-2)11-18-15(19)16(9-10-16)13-5-7-14(17)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyYIYALZBAMHJQLQ-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173367
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
1-(4-bromophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66179470
1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 46438158
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide (CID 115612940) is 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide is CCC(CC)CNC(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
The InChIKey is YIYALZBAMHJQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-3-12(4-2)11-18-15(19)16(9-10-16)13-5-7-14(17)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).