1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide

C19H16F2N4O — CID 60574044

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H16F2N4O/c20-14-4-2-13(3-5-14)19(8-1-9-19)18(26)24-15-6-7-17(16(21)10-15)25-12-22-11-23-25/h2-7,10-12H,1,8-9H2,(H,24,26)
InChIKeySVAMTYUDJFDPHZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 60574044) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID60574044
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H16F2N4O/c20-14-4-2-13(3-5-14)19(8-1-9-19)18(26)24-15-6-7-17(16(21)10-15)25-12-22-11-23-25/h2-7,10-12H,1,8-9H2,(H,24,26)
InChIKeySVAMTYUDJFDPHZ-UHFFFAOYSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119293738
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55813227
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171
(2S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 61165185
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960
(E)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60934573
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934411
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide (CID 60574044) is 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is SVAMTYUDJFDPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-4-2-13(3-5-14)19(8-1-9-19)18(26)24-15-6-7-17(16(21)10-15)25-12-22-11-23-25/h2-7,10-12H,1,8-9H2,(H,24,26).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 60574044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).