1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide

C22H23ClN4O2 — CID 75455610

IUPAC1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cc(CO)nn2)cc1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C22H23ClN4O2/c23-17-6-4-5-16(13-17)22(11-2-1-3-12-22)21(29)24-18-7-9-20(10-8-18)27-14-19(15-28)25-26-27/h4-10,13-14,28H,1-3,11-12,15H2,(H,24,29)
InChIKeyFTBDBUTUZCWWSX-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 75455610) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID75455610
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cc(CO)nn2)cc1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C22H23ClN4O2/c23-17-6-4-5-16(13-17)22(11-2-1-3-12-22)21(29)24-18-7-9-20(10-8-18)27-14-19(15-28)25-26-27/h4-10,13-14,28H,1-3,11-12,15H2,(H,24,29)
InChIKeyFTBDBUTUZCWWSX-UHFFFAOYSA-N
XLogP4.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
CID 55984772
1-(3-chlorophenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]cyclohexane-1-carboxamide
CID 134048262
1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 134047590
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
CID 166355507
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide (CID 75455610) is 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(-n2cc(CO)nn2)cc1)C1(c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is FTBDBUTUZCWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-17-6-4-5-16(13-17)22(11-2-1-3-12-22)21(29)24-18-7-9-20(10-8-18)27-14-19(15-28)25-26-27/h4-10,13-14,28H,1-3,11-12,15H2,(H,24,29).
What are the key properties of 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 75455610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).