N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide

C19H19N5O2 — CID 131908970

IUPACN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESCNC(=O)CCc1ccccc1NC(=O)c1ccccc1-n1cnnc1
InChIInChI=1S/C19H19N5O2/c1-20-18(25)11-10-14-6-2-4-8-16(14)23-19(26)15-7-3-5-9-17(15)24-12-21-22-13-24/h2-9,12-13H,10-11H2,1H3,(H,20,25)(H,23,26)
InChIKeyVWLHDHVSCYCHSH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide

N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 131908970) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID131908970
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESCNC(=O)CCc1ccccc1NC(=O)c1ccccc1-n1cnnc1
InChIInChI=1S/C19H19N5O2/c1-20-18(25)11-10-14-6-2-4-8-16(14)23-19(26)15-7-3-5-9-17(15)24-12-21-22-13-24/h2-9,12-13H,10-11H2,1H3,(H,20,25)(H,23,26)
InChIKeyVWLHDHVSCYCHSH-UHFFFAOYSA-N
XLogP2.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 131942924
3-methyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]furan-2-carboxamide
CID 131924655
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
CID 131924875
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131922083
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
2-ethyl-N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 131929311
N-methyl-3-[2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 131922657
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
3-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 131911038
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 122566145

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide (CID 131908970) is N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide is CNC(=O)CCc1ccccc1NC(=O)c1ccccc1-n1cnnc1.
What is the InChIKey of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is VWLHDHVSCYCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-20-18(25)11-10-14-6-2-4-8-16(14)23-19(26)15-7-3-5-9-17(15)24-12-21-22-13-24/h2-9,12-13H,10-11H2,1H3,(H,20,25)(H,23,26).
What are the key properties of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide?
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 131908970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).