N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide

C24H20FN5O2 — CID 55813284

IUPACN-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C24H20FN5O2/c25-20-13-19(11-12-22(20)30-16-26-15-27-30)28-23(31)14-21(17-7-3-1-4-8-17)29-24(32)18-9-5-2-6-10-18/h1-13,15-16,21H,14H2,(H,28,31)(H,29,32)
InChIKeyRCTXIJVMICGOLH-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.91
Rot. Bonds7

About N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55813284) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55813284
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC NameN-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C24H20FN5O2/c25-20-13-19(11-12-22(20)30-16-26-15-27-30)28-23(31)14-21(17-7-3-1-4-8-17)29-24(32)18-9-5-2-6-10-18/h1-13,15-16,21H,14H2,(H,28,31)(H,29,32)
InChIKeyRCTXIJVMICGOLH-UHFFFAOYSA-N
XLogP3.91
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
CID 55561337
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
N-[3-(4-fluoro-3-nitroanilino)-3-oxo-1-phenylpropyl]benzamide
CID 55363388
N-[(1S)-3-(4-fluoro-3-nitroanilino)-3-oxo-1-phenylpropyl]benzamide
CID 9207747
(E)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60934573
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 55813445

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide (CID 55813284) is N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is RCTXIJVMICGOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-20-13-19(11-12-22(20)30-16-26-15-27-30)28-23(31)14-21(17-7-3-1-4-8-17)29-24(32)18-9-5-2-6-10-18/h1-13,15-16,21H,14H2,(H,28,31)(H,29,32).
What are the key properties of N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 429.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55813284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).