N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide

C15H22ClNO2 — CID 111450920

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-15(2,3)9-8-14(19)17-10-13(18)11-6-4-5-7-12(11)16/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyINIJNECWFXZBKZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide (PubChem CID 111450920) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
PubChem CID111450920
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-15(2,3)9-8-14(19)17-10-13(18)11-6-4-5-7-12(11)16/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyINIJNECWFXZBKZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111450939
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide (CID 111450920) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide?
The InChIKey is INIJNECWFXZBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-15(2,3)9-8-14(19)17-10-13(18)11-6-4-5-7-12(11)16/h4-7,13,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide has a molecular weight of 283.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 111450920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).