N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide

C17H21ClN4O2 — CID 111720141

IUPACN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4O2/c18-14-6-4-13(5-7-14)11-22-12-19-16(21-22)20-15(23)10-17(24)8-2-1-3-9-17/h4-7,12,24H,1-3,8-11H2,(H,20,21,23)
InChIKeyIJQVSWKSEFRWQO-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.00
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111720141) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111720141
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4O2/c18-14-6-4-13(5-7-14)11-22-12-19-16(21-22)20-15(23)10-17(24)8-2-1-3-9-17/h4-7,12,24H,1-3,8-11H2,(H,20,21,23)
InChIKeyIJQVSWKSEFRWQO-UHFFFAOYSA-N
XLogP3.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxypropanamide
CID 71979884
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 46268336
2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
CID 111538363
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550018
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19518175
(2S)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 96526745
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530319
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17022867
N-[1-(4-chlorophenyl)cyclopropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111464638
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
1-[(4-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 83824543

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide (CID 111720141) is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)Nc1ncn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is IJQVSWKSEFRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-14-6-4-13(5-7-14)11-22-12-19-16(21-22)20-15(23)10-17(24)8-2-1-3-9-17/h4-7,12,24H,1-3,8-11H2,(H,20,21,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111720141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).