trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide

C15H16F2N4O2 — CID 138012251

IUPACtrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)nnn1C
InChIInChI=1S/C15H16F2N4O2/c1-8-13(19-20-21(8)2)18-14(22)12-7-11(12)9-3-5-10(6-4-9)23-15(16)17/h3-6,11-12,15H,7H2,1-2H3,(H,18,22)/t11-,12+/m0/s1
InChIKeyUZWRXYGCXDCGQK-NWDGAFQWSA-N
MW322.32 g/mol
LogP2.47
Rot. Bonds5

About trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 138012251) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide
PubChem CID138012251
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Nametrans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)nnn1C
InChIInChI=1S/C15H16F2N4O2/c1-8-13(19-20-21(8)2)18-14(22)12-7-11(12)9-3-5-10(6-4-9)23-15(16)17/h3-6,11-12,15H,7H2,1-2H3,(H,18,22)/t11-,12+/m0/s1
InChIKeyUZWRXYGCXDCGQK-NWDGAFQWSA-N
XLogP2.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide (CID 138012251) is trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide is Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)nnn1C.
What is the InChIKey of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is UZWRXYGCXDCGQK-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-8-13(19-20-21(8)2)18-14(22)12-7-11(12)9-3-5-10(6-4-9)23-15(16)17/h3-6,11-12,15H,7H2,1-2H3,(H,18,22)/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138012251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).