2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide

C19H15ClF3N5O2 — CID 42945287

IUPAC2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C19H15ClF3N5O2/c20-13-9-5-4-8-12(13)16(30)24-14(11-6-2-1-3-7-11)10-15(29)25-18-26-17(27-28-18)19(21,22)23/h1-9,14H,10H2,(H,24,30)(H2,25,26,27,28,29)
InChIKeyKFXQKHVTCFJKHL-UHFFFAOYSA-N
MW437.81 g/mol
LogP3.98
Rot. Bonds6

About 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide

2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide (PubChem CID 42945287) has the molecular formula C19H15ClF3N5O2 and a molecular weight of 437.81 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide
PubChem CID42945287
Molecular FormulaC19H15ClF3N5O2
Molecular Weight437.81 g/mol
Exact Mass437.09
IUPAC Name2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C19H15ClF3N5O2/c20-13-9-5-4-8-12(13)16(30)24-14(11-6-2-1-3-7-11)10-15(29)25-18-26-17(27-28-18)19(21,22)23/h1-9,14H,10H2,(H,24,30)(H2,25,26,27,28,29)
InChIKeyKFXQKHVTCFJKHL-UHFFFAOYSA-N
XLogP3.98
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide with MolForge

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Related Compounds

3-amino-3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 119948763
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CID 55590170
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
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N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 55435292
2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 46797658
2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 24501980
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
CID 52501029
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide (CID 42945287) is 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide is O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide?
The InChIKey is KFXQKHVTCFJKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2/c20-13-9-5-4-8-12(13)16(30)24-14(11-6-2-1-3-7-11)10-15(29)25-18-26-17(27-28-18)19(21,22)23/h1-9,14H,10H2,(H,24,30)(H2,25,26,27,28,29).
What are the key properties of 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide?
2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide has a molecular weight of 437.81 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-1-phenyl-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]propyl]benzamide is sourced from PubChem (CID 42945287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).