1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide

C23H15F5N6O — CID 135178768

IUPAC1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccnc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1)C1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H15F5N6O/c24-13-1-4-17(18(25)10-13)22(6-7-22)21(35)30-14-2-3-15(16(11-14)20-31-33-34-32-20)12-5-8-29-19(9-12)23(26,27)28/h1-5,8-11H,6-7H2,(H,30,35)(H,31,32,33,34)
InChIKeyJHVXNWTUQIJNNP-UHFFFAOYSA-N
MW486.40 g/mol
LogP4.90
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide

1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 135178768) has the molecular formula C23H15F5N6O and a molecular weight of 486.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
PubChem CID135178768
Molecular FormulaC23H15F5N6O
Molecular Weight486.40 g/mol
Exact Mass486.12
IUPAC Name1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccnc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1)C1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H15F5N6O/c24-13-1-4-17(18(25)10-13)22(6-7-22)21(35)30-14-2-3-15(16(11-14)20-31-33-34-32-20)12-5-8-29-19(9-12)23(26,27)28/h1-5,8-11H,6-7H2,(H,30,35)(H,31,32,33,34)
InChIKeyJHVXNWTUQIJNNP-UHFFFAOYSA-N
XLogP4.90
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 159772746
1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178581
N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 135150981
N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161110300
N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161322658
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138679694
N-[4-(4-tert-butylimidazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 160798399
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138725466
N-[4-(4-ethylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 135151013
1-(3-chlorophenyl)-N-[4-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161394976
1-(3-chlorophenyl)-N-[4-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
N-(cyclohexylmethyl)-4-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-methyl-2-(2H-tetrazol-5-yl)benzamide
CID 138679707

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide (CID 135178768) is 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccnc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1)C1(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is JHVXNWTUQIJNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N6O/c24-13-1-4-17(18(25)10-13)22(6-7-22)21(35)30-14-2-3-15(16(11-14)20-31-33-34-32-20)12-5-8-29-19(9-12)23(26,27)28/h1-5,8-11H,6-7H2,(H,30,35)(H,31,32,33,34).
What are the key properties of 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 486.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135178768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).