4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide

C14H17ClN4O2 — CID 71985196

IUPAC4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide
SMILESCC(C)c1nncn1CCNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H17ClN4O2/c1-9(2)13-18-17-8-19(13)6-5-16-14(21)11-4-3-10(15)7-12(11)20/h3-4,7-9,20H,5-6H2,1-2H3,(H,16,21)
InChIKeyIEIKFMSCDZTFAR-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.19
Rot. Bonds5

About 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide

4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide (PubChem CID 71985196) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide
PubChem CID71985196
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide
SMILESCC(C)c1nncn1CCNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H17ClN4O2/c1-9(2)13-18-17-8-19(13)6-5-16-14(21)11-4-3-10(15)7-12(11)20/h3-4,7-9,20H,5-6H2,1-2H3,(H,16,21)
InChIKeyIEIKFMSCDZTFAR-UHFFFAOYSA-N
XLogP2.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
CID 119891087
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 119037288
2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220450
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790
(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 95905700
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71985194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide (CID 71985196) is 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide is CC(C)c1nncn1CCNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide?
The InChIKey is IEIKFMSCDZTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(2)13-18-17-8-19(13)6-5-16-14(21)11-4-3-10(15)7-12(11)20/h3-4,7-9,20H,5-6H2,1-2H3,(H,16,21).
What are the key properties of 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide?
4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide has a molecular weight of 308.77 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 71985196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).