2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide

C15H8Cl2F2N4O — CID 47049176

IUPAC2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2F2N4O/c16-10-5-11(17)12(18)4-9(10)15(24)22-8-1-2-14(13(19)3-8)23-7-20-6-21-23/h1-7H,(H,22,24)
InChIKeySLEJCQPPTGUWLA-UHFFFAOYSA-N
MW369.16 g/mol
LogP4.10
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide

2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 47049176) has the molecular formula C15H8Cl2F2N4O and a molecular weight of 369.16 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID47049176
Molecular FormulaC15H8Cl2F2N4O
Molecular Weight369.16 g/mol
Exact Mass368.00
IUPAC Name2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2F2N4O/c16-10-5-11(17)12(18)4-9(10)15(24)22-8-1-2-14(13(19)3-8)23-7-20-6-21-23/h1-7H,(H,22,24)
InChIKeySLEJCQPPTGUWLA-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-nitrobenzamide
CID 47049155
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 52701753
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934411
2,4-dichloro-5-fluoro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46439736
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
5-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 47066791
2-bromo-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 114328059
(E)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60934573
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55813227
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 47049176) is 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is SLEJCQPPTGUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N4O/c16-10-5-11(17)12(18)4-9(10)15(24)22-8-1-2-14(13(19)3-8)23-7-20-6-21-23/h1-7H,(H,22,24).
What are the key properties of 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide?
2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 369.16 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 47049176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).