N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide

C17H24ClNO2 — CID 115363823

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(CCl)CCCC2)cc1
InChIInChI=1S/C17H24ClNO2/c1-21-15-7-4-14(5-8-15)6-9-16(20)19-13-17(12-18)10-2-3-11-17/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,20)
InChIKeyRPRGAPYOANRPDV-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.54
Rot. Bonds7

About N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 115363823) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID115363823
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(CCl)CCCC2)cc1
InChIInChI=1S/C17H24ClNO2/c1-21-15-7-4-14(5-8-15)6-9-16(20)19-13-17(12-18)10-2-3-11-17/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,20)
InChIKeyRPRGAPYOANRPDV-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(E)-4-chlorobut-2-enyl]-3-(4-methoxyphenyl)propanamide
CID 81429759
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272142
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide (CID 115363823) is N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2(CCl)CCCC2)cc1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RPRGAPYOANRPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-21-15-7-4-14(5-8-15)6-9-16(20)19-13-17(12-18)10-2-3-11-17/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,19,20).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 115363823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).