4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C14H17N5O2 — CID 103716266

IUPAC4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C14H17N5O2/c1-9(13-16-8-17-19-13)18-14(21)12-5-3-11(4-6-12)7-15-10(2)20/h3-6,8-9H,7H2,1-2H3,(H,15,20)(H,18,21)(H,16,17,19)
InChIKeyBQWBFAZMPFKNKQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.93
Rot. Bonds5

About 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 103716266) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID103716266
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C14H17N5O2/c1-9(13-16-8-17-19-13)18-14(21)12-5-3-11(4-6-12)7-15-10(2)20/h3-6,8-9H,7H2,1-2H3,(H,15,20)(H,18,21)(H,16,17,19)
InChIKeyBQWBFAZMPFKNKQ-UHFFFAOYSA-N
XLogP0.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide
CID 50985492
4-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoic acid
CID 114167925
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
methyl 4-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoate
CID 103952901
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 103726002
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 103716266) is 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CC(=O)NCc1ccc(C(=O)NC(C)c2ncn[nH]2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is BQWBFAZMPFKNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(13-16-8-17-19-13)18-14(21)12-5-3-11(4-6-12)7-15-10(2)20/h3-6,8-9H,7H2,1-2H3,(H,15,20)(H,18,21)(H,16,17,19).
What are the key properties of 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103716266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).