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

C12H13ClN4O2 — CID 103716401

IUPAC5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-7(11-14-6-15-17-11)16-12(18)9-5-8(13)3-4-10(9)19-2/h3-7H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyFKAHEMCEYFRAKJ-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.96
Rot. Bonds4

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

5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 103716401) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID103716401
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-7(11-14-6-15-17-11)16-12(18)9-5-8(13)3-4-10(9)19-2/h3-7H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyFKAHEMCEYFRAKJ-UHFFFAOYSA-N
XLogP1.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716205
5-chloro-2-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103741542
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
4-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943283
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 103716401) is 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is FKAHEMCEYFRAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7(11-14-6-15-17-11)16-12(18)9-5-8(13)3-4-10(9)19-2/h3-7H,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 280.72 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103716401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).