N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide

C21H22ClN3O — CID 121318162

IUPACN-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(c2cccc3[nH]ncc23)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O/c22-16-8-10-17(11-9-16)24-21(26)12-14-4-6-15(7-5-14)18-2-1-3-20-19(18)13-23-25-20/h1-3,8-11,13-15H,4-7,12H2,(H,23,25)(H,24,26)
InChIKeyKTNJHRIMRUTTKQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.52
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide

N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide (PubChem CID 121318162) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide
PubChem CID121318162
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(c2cccc3[nH]ncc23)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O/c22-16-8-10-17(11-9-16)24-21(26)12-14-4-6-15(7-5-14)18-2-1-3-20-19(18)13-23-25-20/h1-3,8-11,13-15H,4-7,12H2,(H,23,25)(H,24,26)
InChIKeyKTNJHRIMRUTTKQ-UHFFFAOYSA-N
XLogP5.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
CID 167552414
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 161440636
3-[4-[2-(4-chloroanilino)-2-oxoethyl]cyclohexyl]benzoic acid
CID 121319777
N-(4-chlorophenyl)-2-[4-(2,4-dimethoxyphenyl)cyclohexyl]acetamide
CID 121324026
2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 121319520
N-(4-chlorophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110858953
N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
CID 138554091
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
N-(4-chlorophenyl)-2-(4,4-difluorocyclohexyl)acetamide
CID 121319752
N-(4-chlorophenyl)-2-[4-(4-ethoxyphenyl)cyclohexyl]acetamide
CID 121325219
2-cyclopropyl-N-phenylacetamide
CID 60753326

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide (CID 121318162) is N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide is O=C(CC1CCC(c2cccc3[nH]ncc23)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide?
The InChIKey is KTNJHRIMRUTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-16-8-10-17(11-9-16)24-21(26)12-14-4-6-15(7-5-14)18-2-1-3-20-19(18)13-23-25-20/h1-3,8-11,13-15H,4-7,12H2,(H,23,25)(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide?
N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide has a molecular weight of 367.88 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(1H-indazol-4-yl)cyclohexyl]acetamide is sourced from PubChem (CID 121318162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).