N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide

C18H16FN5O2 — CID 47063443

IUPACN-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
SMILESO=C(CCn1cncn1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H16FN5O2/c19-14-4-2-6-16(10-14)23-18(26)13-3-1-5-15(9-13)22-17(25)7-8-24-12-20-11-21-24/h1-6,9-12H,7-8H2,(H,22,25)(H,23,26)
InChIKeyJBKFYMQKJNNLDY-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.70
Rot. Bonds6

About N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide

N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide (PubChem CID 47063443) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
PubChem CID47063443
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide
SMILESO=C(CCn1cncn1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H16FN5O2/c19-14-4-2-6-16(10-14)23-18(26)13-3-1-5-15(9-13)22-17(25)7-8-24-12-20-11-21-24/h1-6,9-12H,7-8H2,(H,22,25)(H,23,26)
InChIKeyJBKFYMQKJNNLDY-UHFFFAOYSA-N
XLogP2.70
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676210
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 86817394
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803072
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 119740426
N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124285

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide (CID 47063443) is N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide is O=C(CCn1cncn1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
The InChIKey is JBKFYMQKJNNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-14-4-2-6-16(10-14)23-18(26)13-3-1-5-15(9-13)22-17(25)7-8-24-12-20-11-21-24/h1-6,9-12H,7-8H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide has a molecular weight of 353.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 47063443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).