1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide

C15H16ClNO2 — CID 136531933

IUPAC1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
SMILESC#CC(COC)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16ClNO2/c1-3-13(10-19-2)17-14(18)15(8-9-15)11-4-6-12(16)7-5-11/h1,4-7,13H,8-10H2,2H3,(H,17,18)
InChIKeyLXZCVWZAURYIIC-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide (PubChem CID 136531933) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
PubChem CID136531933
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide
SMILESC#CC(COC)NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16ClNO2/c1-3-13(10-19-2)17-14(18)15(8-9-15)11-4-6-12(16)7-5-11/h1,4-7,13H,8-10H2,2H3,(H,17,18)
InChIKeyLXZCVWZAURYIIC-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 91776945
1-(4-chlorophenyl)-N-(1,1,1-trifluorohex-5-yn-3-yl)cyclopropane-1-carboxamide
CID 154764723
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-methoxybutanoic acid
CID 103153093
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
(2S)-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152848
1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
CID 115913721
1-(4-chlorophenyl)-N-(1-hydroxy-3-phenylmethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 72994043
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide (CID 136531933) is 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide is C#CC(COC)NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LXZCVWZAURYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-3-13(10-19-2)17-14(18)15(8-9-15)11-4-6-12(16)7-5-11/h1,4-7,13H,8-10H2,2H3,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-methoxybut-3-yn-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136531933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).