N-[4-(chloromethyl)phenyl]pentanamide

C12H16ClNO — CID 86032460

IUPACN-[4-(chloromethyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-4-12(15)14-11-7-5-10(9-13)6-8-11/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyKEZSQQBLAHEIIC-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.55
Rot. Bonds5

About N-[4-(chloromethyl)phenyl]pentanamide

N-[4-(chloromethyl)phenyl]pentanamide (PubChem CID 86032460) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]pentanamide
PubChem CID86032460
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[4-(chloromethyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-4-12(15)14-11-7-5-10(9-13)6-8-11/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyKEZSQQBLAHEIIC-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.55
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

N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-cyanophenyl)pentanamide
CID 2162994
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]pentanamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]pentanamide (CID 86032460) is N-[4-(chloromethyl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]pentanamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(CCl)cc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]pentanamide?
The InChIKey is KEZSQQBLAHEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-4-12(15)14-11-7-5-10(9-13)6-8-11/h5-8H,2-4,9H2,1H3,(H,14,15).
What are the key properties of N-[4-(chloromethyl)phenyl]pentanamide?
N-[4-(chloromethyl)phenyl]pentanamide has a molecular weight of 225.72 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]pentanamide is sourced from PubChem (CID 86032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).