3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide

C15H19ClN4O — CID 64512552

IUPAC3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CCc2ccc(C)c(Cl)c2)n[nH]1
InChIInChI=1S/C15H19ClN4O/c1-10-4-5-12(8-13(10)16)6-7-15(21)20(3)9-14-17-11(2)18-19-14/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,19)
InChIKeyFNKASVATCKTXBI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.67
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide

3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 64512552) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID64512552
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CCc2ccc(C)c(Cl)c2)n[nH]1
InChIInChI=1S/C15H19ClN4O/c1-10-4-5-12(8-13(10)16)6-7-15(21)20(3)9-14-17-11(2)18-19-14/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,19)
InChIKeyFNKASVATCKTXBI-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (CID 64512552) is 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is Cc1nc(CN(C)C(=O)CCc2ccc(C)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is FNKASVATCKTXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-4-5-12(8-13(10)16)6-7-15(21)20(3)9-14-17-11(2)18-19-14/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 306.80 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 64512552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).