3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide

C14H18ClNO2 — CID 77089318

IUPAC3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCc2ccc(Cl)cc2)COC1
InChIInChI=1S/C14H18ClNO2/c1-14(9-18-10-14)8-16-13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,16,17)
InChIKeyWNXHSCVTVCUSOD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.43
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide

3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 77089318) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID77089318
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCc2ccc(Cl)cc2)COC1
InChIInChI=1S/C14H18ClNO2/c1-14(9-18-10-14)8-16-13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,16,17)
InChIKeyWNXHSCVTVCUSOD-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
CID 78957563
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956882
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 77089318) is 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide is CC1(CNC(=O)CCc2ccc(Cl)cc2)COC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is WNXHSCVTVCUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(9-18-10-14)8-16-13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 77089318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).