N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide

C15H20ClNO2 — CID 114298345

IUPACN-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1ccccc1CCl
InChIInChI=1S/C15H20ClNO2/c16-11-12-5-1-2-7-14(12)17-15(18)9-8-13-6-3-4-10-19-13/h1-2,5,7,13H,3-4,6,8-11H2,(H,17,18)
InChIKeyUZZSACNMNZBAKD-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide

N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide (PubChem CID 114298345) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
PubChem CID114298345
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1ccccc1CCl
InChIInChI=1S/C15H20ClNO2/c16-11-12-5-1-2-7-14(12)17-15(18)9-8-13-6-3-4-10-19-13/h1-2,5,7,13H,3-4,6,8-11H2,(H,17,18)
InChIKeyUZZSACNMNZBAKD-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.71
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-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide
CID 103745081
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide (CID 114298345) is N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1ccccc1CCl.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide?
The InChIKey is UZZSACNMNZBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-11-12-5-1-2-7-14(12)17-15(18)9-8-13-6-3-4-10-19-13/h1-2,5,7,13H,3-4,6,8-11H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide?
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide has a molecular weight of 281.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 114298345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).