1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C14H15ClN4O2 — CID 104818238

IUPAC1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCCOc1n[nH]c(NC(=O)C2(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C14H15ClN4O2/c1-2-21-13-17-12(18-19-13)16-11(20)14(7-8-14)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyPSWWAWYSWLDFLR-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.53
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 104818238) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID104818238
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESCCOc1n[nH]c(NC(=O)C2(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C14H15ClN4O2/c1-2-21-13-17-12(18-19-13)16-11(20)14(7-8-14)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyPSWWAWYSWLDFLR-UHFFFAOYSA-N
XLogP2.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 104817943
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 43546753
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526668
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 104818238) is 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is CCOc1n[nH]c(NC(=O)C2(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is PSWWAWYSWLDFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-2-21-13-17-12(18-19-13)16-11(20)14(7-8-14)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 104818238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).