N-[[4-(chloromethyl)phenyl]methyl]heptanamide

C15H22ClNO — CID 107233492

IUPACN-[[4-(chloromethyl)phenyl]methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(CCl)cc1
InChIInChI=1S/C15H22ClNO/c1-2-3-4-5-6-15(18)17-12-14-9-7-13(11-16)8-10-14/h7-10H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyLTRZBQZTUZNFIW-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.01
Rot. Bonds8

About N-[[4-(chloromethyl)phenyl]methyl]heptanamide

N-[[4-(chloromethyl)phenyl]methyl]heptanamide (PubChem CID 107233492) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]heptanamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]heptanamide
PubChem CID107233492
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(CCl)cc1
InChIInChI=1S/C15H22ClNO/c1-2-3-4-5-6-15(18)17-12-14-9-7-13(11-16)8-10-14/h7-10H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyLTRZBQZTUZNFIW-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[[3-(chloromethyl)phenyl]methyl]octanamide
CID 114302418
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-benzylundecanamide
CID 5078198
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]heptanamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]heptanamide (CID 107233492) is N-[[4-(chloromethyl)phenyl]methyl]heptanamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]heptanamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]heptanamide is CCCCCCC(=O)NCc1ccc(CCl)cc1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]heptanamide?
The InChIKey is LTRZBQZTUZNFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-3-4-5-6-15(18)17-12-14-9-7-13(11-16)8-10-14/h7-10H,2-6,11-12H2,1H3,(H,17,18).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]heptanamide?
N-[[4-(chloromethyl)phenyl]methyl]heptanamide has a molecular weight of 267.80 g/mol, XLogP of 4.01, 8 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]heptanamide is sourced from PubChem (CID 107233492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).