N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide

C15H20ClNO2 — CID 114299310

IUPACN-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(CCCl)cc1
InChIInChI=1S/C15H20ClNO2/c16-10-9-12-3-5-13(6-4-12)17-15(18)8-7-14-2-1-11-19-14/h3-6,14H,1-2,7-11H2,(H,17,18)
InChIKeyPXGYEZYYYIOGET-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.37
Rot. Bonds6

About N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide

N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 114299310) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID114299310
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(CCCl)cc1
InChIInChI=1S/C15H20ClNO2/c16-10-9-12-3-5-13(6-4-12)17-15(18)8-7-14-2-1-11-19-14/h3-6,14H,1-2,7-11H2,(H,17,18)
InChIKeyPXGYEZYYYIOGET-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.37
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-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide (CID 114299310) is N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1ccc(CCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is PXGYEZYYYIOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-10-9-12-3-5-13(6-4-12)17-15(18)8-7-14-2-1-11-19-14/h3-6,14H,1-2,7-11H2,(H,17,18).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide?
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 281.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 114299310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).