N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide

C18H19ClN2O3 — CID 110630066

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCC(O)(CNC(=O)CCC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(24,14-4-6-15(19)7-5-14)12-21-17(23)9-8-16(22)13-3-2-10-20-11-13/h2-7,10-11,24H,8-9,12H2,1H3,(H,21,23)
InChIKeySZYXONOUZRJWHW-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110630066) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110630066
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCC(O)(CNC(=O)CCC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(24,14-4-6-15(19)7-5-14)12-21-17(23)9-8-16(22)13-3-2-10-20-11-13/h2-7,10-11,24H,8-9,12H2,1H3,(H,21,23)
InChIKeySZYXONOUZRJWHW-UHFFFAOYSA-N
XLogP2.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
4-(4-tert-butylphenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110616007

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110630066) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide is CC(O)(CNC(=O)CCC(=O)c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is SZYXONOUZRJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(24,14-4-6-15(19)7-5-14)12-21-17(23)9-8-16(22)13-3-2-10-20-11-13/h2-7,10-11,24H,8-9,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 346.81 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110630066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).