3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

C18H19Cl2NO2 — CID 22949885

IUPAC3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-21(10-11-22)18(23)12-17(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-9,17,22H,10-12H2,1H3
InChIKeyPKBRTJJXYFFSHE-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.97
Rot. Bonds6

About 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 22949885) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID22949885
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-21(10-11-22)18(23)12-17(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-9,17,22H,10-12H2,1H3
InChIKeyPKBRTJJXYFFSHE-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 42214678
3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 45175377
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 42245901
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-methylcarbamic acid
CID 146585189
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (CID 22949885) is 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is CN(CCO)C(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is PKBRTJJXYFFSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-21(10-11-22)18(23)12-17(13-2-6-15(19)7-3-13)14-4-8-16(20)9-5-14/h2-9,17,22H,10-12H2,1H3.
What are the key properties of 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 352.26 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 22949885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).