N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide

C14H17ClN2O2 — CID 86793674

IUPACN-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-13(2,8-16)12(18)17-9-14(3,19)10-6-4-5-7-11(10)15/h4-7,19H,9H2,1-3H3,(H,17,18)
InChIKeyPXCRWZZKAVDOJW-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide (PubChem CID 86793674) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
PubChem CID86793674
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-13(2,8-16)12(18)17-9-14(3,19)10-6-4-5-7-11(10)15/h4-7,19H,9H2,1-3H3,(H,17,18)
InChIKeyPXCRWZZKAVDOJW-UHFFFAOYSA-N
XLogP2.21
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
CID 86793655
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
CID 115175277
1-[2-(2-chlorophenyl)-2-hydroxypropyl]-3-[(4-cyanophenyl)methyl]urea
CID 86793254
2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
CID 55208118
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 75508221
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-1-hydroxycyclopentane-1-carboxamide
CID 99702505
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 119035175
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
CID 96566549
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide (CID 86793674) is N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)NCC(C)(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide?
The InChIKey is PXCRWZZKAVDOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-13(2,8-16)12(18)17-9-14(3,19)10-6-4-5-7-11(10)15/h4-7,19H,9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide?
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide has a molecular weight of 280.75 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 86793674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).