cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide

C19H17FN4O — CID 95245273

IUPACcis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H17FN4O/c1-24-11-21-23-18(24)14-7-2-3-8-17(14)22-19(25)16-10-15(16)12-5-4-6-13(20)9-12/h2-9,11,15-16H,10H2,1H3,(H,22,25)/t15-,16-/m1/s1
InChIKeyLJQKLERNGHOYLD-HZPDHXFCSA-N
MW336.37 g/mol
LogP3.36
Rot. Bonds4

About cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 95245273) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID95245273
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Namecis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H17FN4O/c1-24-11-21-23-18(24)14-7-2-3-8-17(14)22-19(25)16-10-15(16)12-5-4-6-13(20)9-12/h2-9,11,15-16H,10H2,1H3,(H,22,25)/t15-,16-/m1/s1
InChIKeyLJQKLERNGHOYLD-HZPDHXFCSA-N
XLogP3.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide (CID 95245273) is cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide is Cn1cnnc1-c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LJQKLERNGHOYLD-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24-11-21-23-18(24)14-7-2-3-8-17(14)22-19(25)16-10-15(16)12-5-4-6-13(20)9-12/h2-9,11,15-16H,10H2,1H3,(H,22,25)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95245273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).