cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide

C14H12ClN3O — CID 124885257

IUPACcis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ncccn1)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O/c15-10-4-1-3-9(7-10)11-8-12(11)13(19)18-14-16-5-2-6-17-14/h1-7,11-12H,8H2,(H,16,17,18,19)/t11-,12-/m0/s1
InChIKeyASTVCIQVIJLBNB-RYUDHWBXSA-N
MW273.72 g/mol
LogP2.87
Rot. Bonds3

About cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide (PubChem CID 124885257) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
PubChem CID124885257
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Namecis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ncccn1)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O/c15-10-4-1-3-9(7-10)11-8-12(11)13(19)18-14-16-5-2-6-17-14/h1-7,11-12H,8H2,(H,16,17,18,19)/t11-,12-/m0/s1
InChIKeyASTVCIQVIJLBNB-RYUDHWBXSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 154862185
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide (CID 124885257) is cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide is O=C(Nc1ncccn1)[C@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide?
The InChIKey is ASTVCIQVIJLBNB-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-10-4-1-3-9(7-10)11-8-12(11)13(19)18-14-16-5-2-6-17-14/h1-7,11-12H,8H2,(H,16,17,18,19)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 124885257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).