3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide

C17H16FN5O — CID 174992604

IUPAC3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2n[nH]c(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN5O/c1-23(2)16(24)12-4-3-5-14(10-12)19-17-20-15(21-22-17)11-6-8-13(18)9-7-11/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyLTSAZUCAUXKAIF-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.06
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide

3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide (PubChem CID 174992604) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide
PubChem CID174992604
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2n[nH]c(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN5O/c1-23(2)16(24)12-4-3-5-14(10-12)19-17-20-15(21-22-17)11-6-8-13(18)9-7-11/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyLTSAZUCAUXKAIF-UHFFFAOYSA-N
XLogP3.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 112810677
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N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
N,N-dimethyl-3-(methylamino)benzamide;ethane
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(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906
4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2,6-dichlorophenyl]-N,N-dimethylbenzamide
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1-[4-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl]phenyl]-3-phenylurea
CID 2016816
3-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 134046266
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(4-fluorophenyl)methyl]-N-phenylbenzamide
CID 69192460
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide (CID 174992604) is 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Nc2n[nH]c(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is LTSAZUCAUXKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-23(2)16(24)12-4-3-5-14(10-12)19-17-20-15(21-22-17)11-6-8-13(18)9-7-11/h3-10H,1-2H3,(H2,19,20,21,22).
What are the key properties of 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide?
3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 325.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 174992604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).