N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide

C12H16ClNO2 — CID 82117612

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-8(2)12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChIKeySTLWTNAXHJYICK-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide (PubChem CID 82117612) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
PubChem CID82117612
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-8(2)12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChIKeySTLWTNAXHJYICK-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
CID 110931236
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 110931258
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
tert-butyl N-[(2S)-1-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95568784
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
2-(4-chlorophenyl)-3-(2-methylpropanoylamino)propane-1-sulfonic acid
CID 162426202
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414513
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide (CID 82117612) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide is CC(C)C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide?
The InChIKey is STLWTNAXHJYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)12(16)14-7-11(15)9-3-5-10(13)6-4-9/h3-6,8,11,15H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide is sourced from PubChem (CID 82117612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).