N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide

C17H23Cl2NO2 — CID 86970189

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C17H23Cl2NO2/c1-11(8-13-6-7-14(18)9-15(13)19)17(22)20-10-16(21)12-4-2-3-5-12/h6-7,9,11-12,16,21H,2-5,8,10H2,1H3,(H,20,22)
InChIKeyIPYAPNVLZZLYRB-UHFFFAOYSA-N
MW344.28 g/mol
LogP3.84
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide (PubChem CID 86970189) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
PubChem CID86970189
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C17H23Cl2NO2/c1-11(8-13-6-7-14(18)9-15(13)19)17(22)20-10-16(21)12-4-2-3-5-12/h6-7,9,11-12,16,21H,2-5,8,10H2,1H3,(H,20,22)
InChIKeyIPYAPNVLZZLYRB-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
CID 166254759
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63296375

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide (CID 86970189) is N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide is CC(Cc1ccc(Cl)cc1Cl)C(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
The InChIKey is IPYAPNVLZZLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-11(8-13-6-7-14(18)9-15(13)19)17(22)20-10-16(21)12-4-2-3-5-12/h6-7,9,11-12,16,21H,2-5,8,10H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide has a molecular weight of 344.28 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 86970189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).