2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C14H18ClNO3 — CID 79039515

IUPAC2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC1(O)CCOCC1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(8-12)9-13(17)16-10-14(18)4-6-19-7-5-14/h1-3,8,18H,4-7,9-10H2,(H,16,17)
InChIKeyGIAROLOCFWMYCW-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.54
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 79039515) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID79039515
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC1(O)CCOCC1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-11(8-12)9-13(17)16-10-14(18)4-6-19-7-5-14/h1-3,8,18H,4-7,9-10H2,(H,16,17)
InChIKeyGIAROLOCFWMYCW-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 79039515) is 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is O=C(Cc1cccc(Cl)c1)NCC1(O)CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is GIAROLOCFWMYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-3-1-2-11(8-12)9-13(17)16-10-14(18)4-6-19-7-5-14/h1-3,8,18H,4-7,9-10H2,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 283.75 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 79039515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).