N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide

C19H19N5O3 — CID 131899092

IUPACN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cncn2)cc1C
InChIInChI=1S/C19H19N5O3/c1-13-9-14(7-8-16(13)23-18(25)10-27-2)22-19(26)15-5-3-4-6-17(15)24-12-20-11-21-24/h3-9,11-12H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHMAYUJJPFHNELL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.41
Rot. Bonds6

About N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide

N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 131899092) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID131899092
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cncn2)cc1C
InChIInChI=1S/C19H19N5O3/c1-13-9-14(7-8-16(13)23-18(25)10-27-2)22-19(26)15-5-3-4-6-17(15)24-12-20-11-21-24/h3-9,11-12H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHMAYUJJPFHNELL-UHFFFAOYSA-N
XLogP2.41
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]benzamide
CID 131901895
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide
CID 131924701
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
2-O-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505482
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide
CID 131937070
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131908287
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 131943576
2-[(2-methoxyacetyl)amino]-N-pyridin-3-ylbenzamide
CID 30337604
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134707784
2-chloro-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 131927811
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 131899092) is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide is COCC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cncn2)cc1C.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is HMAYUJJPFHNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-9-14(7-8-16(13)23-18(25)10-27-2)22-19(26)15-5-3-4-6-17(15)24-12-20-11-21-24/h3-9,11-12H,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 131899092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).