4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide

C19H19ClN4O — CID 19956965

IUPAC4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide
SMILESNC(=O)C(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H19ClN4O/c20-17-8-6-15(7-9-17)10-11-19(18(21)25,12-24-14-22-13-23-24)16-4-2-1-3-5-16/h1-9,13-14H,10-12H2,(H2,21,25)
InChIKeyYBRQQKHHUGDFRQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.99
Rot. Bonds7

About 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide

4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide (PubChem CID 19956965) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide
PubChem CID19956965
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide
SMILESNC(=O)C(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C19H19ClN4O/c20-17-8-6-15(7-9-17)10-11-19(18(21)25,12-24-14-22-13-23-24)16-4-2-1-3-5-16/h1-9,13-14H,10-12H2,(H2,21,25)
InChIKeyYBRQQKHHUGDFRQ-UHFFFAOYSA-N
XLogP2.99
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5,5-dimethyl-3-(1,2,4-triazol-1-ylmethyl)hexan-3-ol
CID 58921760
methyl 5-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentanoate
CID 169443911
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-yl)butanenitrile
CID 15390071
1-(4-chlorophenyl)-4,4,5-trimethyl-3-(1,2,4-triazol-1-ylmethyl)hexan-3-ol
CID 14328584
1-(4-chlorophenyl)-4-methyl-4-pyrazol-1-yl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 14369948
1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 22905746
(2S)-1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
CID 11233774
3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54527494
1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol;2-(phosphonomethylamino)acetic acid
CID 11975177
4-(4-chlorophenyl)-2-(1-methylsulfanylcyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 14403431
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide (CID 19956965) is 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide is NC(=O)C(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide?
The InChIKey is YBRQQKHHUGDFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-17-8-6-15(7-9-17)10-11-19(18(21)25,12-24-14-22-13-23-24)16-4-2-1-3-5-16/h1-9,13-14H,10-12H2,(H2,21,25).
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide has a molecular weight of 354.84 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide is sourced from PubChem (CID 19956965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).