2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide

C15H19F2NO2 — CID 109479076

IUPAC2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
SMILESCCC(CCO)NC(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-2-10(5-6-19)18-15(20)12-8-11(12)9-3-4-13(16)14(17)7-9/h3-4,7,10-12,19H,2,5-6,8H2,1H3,(H,18,20)
InChIKeyUGCKBVMOFJDJSR-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.35
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide (PubChem CID 109479076) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
PubChem CID109479076
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
SMILESCCC(CCO)NC(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-2-10(5-6-19)18-15(20)12-8-11(12)9-3-4-13(16)14(17)7-9/h3-4,7,10-12,19H,2,5-6,8H2,1H3,(H,18,20)
InChIKeyUGCKBVMOFJDJSR-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119667750
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120831797
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
methyl 3-(2-chlorophenyl)-3-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 86903328
N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119997140
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
CID 86941664

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide (CID 109479076) is 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide is CCC(CCO)NC(=O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is UGCKBVMOFJDJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-10(5-6-19)18-15(20)12-8-11(12)9-3-4-13(16)14(17)7-9/h3-4,7,10-12,19H,2,5-6,8H2,1H3,(H,18,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109479076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).