4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide

C15H18ClNO3 — CID 111445612

IUPAC4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCC1(O)CCC1
InChIInChI=1S/C15H18ClNO3/c16-12-4-2-11(3-5-12)13(18)6-7-14(19)17-10-15(20)8-1-9-15/h2-5,20H,1,6-10H2,(H,17,19)
InChIKeyWRVAVAVXOAGYOJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.33
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide (PubChem CID 111445612) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide
PubChem CID111445612
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCC1(O)CCC1
InChIInChI=1S/C15H18ClNO3/c16-12-4-2-11(3-5-12)13(18)6-7-14(19)17-10-15(20)8-1-9-15/h2-5,20H,1,6-10H2,(H,17,19)
InChIKeyWRVAVAVXOAGYOJ-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide
CID 154861528
4-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110310297
N-(1-adamantylmethyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26866780
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
4-[3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]prop-1-ynyl]benzamide
CID 90549694
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide (CID 111445612) is 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCC1(O)CCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide?
The InChIKey is WRVAVAVXOAGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-4-2-11(3-5-12)13(18)6-7-14(19)17-10-15(20)8-1-9-15/h2-5,20H,1,6-10H2,(H,17,19).
What are the key properties of 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide has a molecular weight of 295.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 111445612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).