N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide

C16H22ClNO — CID 107233470

IUPACN-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCc1ccc(CCl)cc1
InChIInChI=1S/C16H22ClNO/c17-11-14-5-7-15(8-6-14)12-18-16(19)10-9-13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H,18,19)
InChIKeyGKDGFEUUOPKZLB-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.01
Rot. Bonds6

About N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide

N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide (PubChem CID 107233470) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
PubChem CID107233470
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NCc1ccc(CCl)cc1
InChIInChI=1S/C16H22ClNO/c17-11-14-5-7-15(8-6-14)12-18-16(19)10-9-13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H,18,19)
InChIKeyGKDGFEUUOPKZLB-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
CID 43094957
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46449436
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
N-[[4-(chloromethyl)phenyl]methyl]-2-(thian-4-yl)acetamide
CID 107233476
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide (CID 107233470) is N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NCc1ccc(CCl)cc1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide?
The InChIKey is GKDGFEUUOPKZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-11-14-5-7-15(8-6-14)12-18-16(19)10-9-13-3-1-2-4-13/h5-8,13H,1-4,9-12H2,(H,18,19).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide?
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide has a molecular weight of 279.81 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 107233470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).