1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide

C16H15ClF3NO — CID 154764723

IUPAC1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide
SMILESC#CCC(CC(F)(F)F)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15ClF3NO/c1-2-3-13(10-16(18,19)20)21-14(22)15(8-9-15)11-4-6-12(17)7-5-11/h1,4-7,13H,3,8-10H2,(H,21,22)
InChIKeyQSFLTRJBVPCLDH-UHFFFAOYSA-N
MW329.75 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide (PubChem CID 154764723) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide
PubChem CID154764723
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide
SMILESC#CCC(CC(F)(F)F)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15ClF3NO/c1-2-3-13(10-16(18,19)20)21-14(22)15(8-9-15)11-4-6-12(17)7-5-11/h1,4-7,13H,3,8-10H2,(H,21,22)
InChIKeyQSFLTRJBVPCLDH-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898
1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
CID 136531933
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]pent-4-ynoic acid
CID 115913879
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 72994043
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide (CID 154764723) is 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide is C#CCC(CC(F)(F)F)NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide?
The InChIKey is QSFLTRJBVPCLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c1-2-3-13(10-16(18,19)20)21-14(22)15(8-9-15)11-4-6-12(17)7-5-11/h1,4-7,13H,3,8-10H2,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154764723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).