1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide

C17H22BrNO2 — CID 64865921

IUPAC1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H22BrNO2/c18-14-6-4-13(5-7-14)17(10-11-17)15(20)19-12-16(21)8-2-1-3-9-16/h4-7,21H,1-3,8-12H2,(H,19,20)
InChIKeyCJFYXIJLFMCMTQ-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.29
Rot. Bonds4

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

1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide (PubChem CID 64865921) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
PubChem CID64865921
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H22BrNO2/c18-14-6-4-13(5-7-14)17(10-11-17)15(20)19-12-16(21)8-2-1-3-9-16/h4-7,21H,1-3,8-12H2,(H,19,20)
InChIKeyCJFYXIJLFMCMTQ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 111779691
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
1-(4-bromophenyl)cyclohexane-1-carboxamide
CID 47319711
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide (CID 64865921) is 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide is O=C(NCC1(O)CCCCC1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CJFYXIJLFMCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c18-14-6-4-13(5-7-14)17(10-11-17)15(20)19-12-16(21)8-2-1-3-9-16/h4-7,21H,1-3,8-12H2,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 64865921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).