1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide

C14H12ClN3O — CID 110464732

IUPAC1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccncn1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H12ClN3O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)18-12-5-8-16-9-17-12/h1-5,8-9H,6-7H2,(H,16,17,18,19)
InChIKeyCJFNSRRNLJRZPG-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide (PubChem CID 110464732) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
PubChem CID110464732
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccncn1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H12ClN3O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)18-12-5-8-16-9-17-12/h1-5,8-9H,6-7H2,(H,16,17,18,19)
InChIKeyCJFNSRRNLJRZPG-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(3-fluoro-4-pyridinyl)cyclopropane-1-carboxamide
CID 167778730
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526668
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 22176751
1-phenyl-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589054
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 26086733
1-(4-chlorophenyl)-N-[5-[(2-methoxyphenyl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 68924011
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 43546753
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide (CID 110464732) is 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide is O=C(Nc1ccncn1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide?
The InChIKey is CJFNSRRNLJRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)18-12-5-8-16-9-17-12/h1-5,8-9H,6-7H2,(H,16,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110464732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).