3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide

C24H30ClNO4 — CID 141308833

IUPAC3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(OCCO)c(OCCc2cccc(Cl)c2)c1
InChIInChI=1S/C24H30ClNO4/c25-20-7-5-6-18(16-20)12-14-29-23-17-19(10-11-22(23)30-15-13-27)24(28)26-21-8-3-1-2-4-9-21/h5-7,10-11,16-17,21,27H,1-4,8-9,12-15H2,(H,26,28)
InChIKeyZIDSDHAODBMKBU-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.79
Rot. Bonds9

About 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide

3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide (PubChem CID 141308833) has the molecular formula C24H30ClNO4 and a molecular weight of 431.96 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide
PubChem CID141308833
Molecular FormulaC24H30ClNO4
Molecular Weight431.96 g/mol
Exact Mass431.19
IUPAC Name3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(OCCO)c(OCCc2cccc(Cl)c2)c1
InChIInChI=1S/C24H30ClNO4/c25-20-7-5-6-18(16-20)12-14-29-23-17-19(10-11-22(23)30-15-13-27)24(28)26-21-8-3-1-2-4-9-21/h5-7,10-11,16-17,21,27H,1-4,8-9,12-15H2,(H,26,28)
InChIKeyZIDSDHAODBMKBU-UHFFFAOYSA-N
XLogP4.79
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
(2R)-2-[(3-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 100552891
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide (CID 141308833) is 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide is O=C(NC1CCCCCC1)c1ccc(OCCO)c(OCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide?
The InChIKey is ZIDSDHAODBMKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClNO4/c25-20-7-5-6-18(16-20)12-14-29-23-17-19(10-11-22(23)30-15-13-27)24(28)26-21-8-3-1-2-4-9-21/h5-7,10-11,16-17,21,27H,1-4,8-9,12-15H2,(H,26,28).
What are the key properties of 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide?
3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide has a molecular weight of 431.96 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethoxy]-N-cycloheptyl-4-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 141308833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).