N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide

C25H22N4O2 — CID 157198147

IUPACN-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1-n1ccnn1)c1ccccc1
InChIInChI=1S/C25H22N4O2/c30-24(18-21-13-7-8-14-23(21)29-16-15-26-28-29)22(17-19-9-3-1-4-10-19)27-25(31)20-11-5-2-6-12-20/h1-16,22H,17-18H2,(H,27,31)
InChIKeyAQMGNJPODUZZMB-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.42
Rot. Bonds8

About N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide

N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide (PubChem CID 157198147) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
PubChem CID157198147
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1-n1ccnn1)c1ccccc1
InChIInChI=1S/C25H22N4O2/c30-24(18-21-13-7-8-14-23(21)29-16-15-26-28-29)22(17-19-9-3-1-4-10-19)27-25(31)20-11-5-2-6-12-20/h1-16,22H,17-18H2,(H,27,31)
InChIKeyAQMGNJPODUZZMB-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 147508391
N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide
CID 147521395
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
methyl 5-benzamido-4-oxo-6-phenylhexanoate
CID 12854251
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide (CID 157198147) is N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1-n1ccnn1)c1ccccc1.
What is the InChIKey of N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide?
The InChIKey is AQMGNJPODUZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-24(18-21-13-7-8-14-23(21)29-16-15-26-28-29)22(17-19-9-3-1-4-10-19)27-25(31)20-11-5-2-6-12-20/h1-16,22H,17-18H2,(H,27,31).
What are the key properties of N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide?
N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-4-[2-(triazol-1-yl)phenyl]butan-2-yl]benzamide is sourced from PubChem (CID 157198147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).