3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide

C19H20ClNO2 — CID 17179067

IUPAC3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H20ClNO2/c1-14(2)13-23-18-10-6-5-9-17(18)21-19(22)12-11-15-7-3-4-8-16(15)20/h3-10H,1,11-13H2,2H3,(H,21,22)
InChIKeyQQBNIPMFCMXFKP-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.87
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide

3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide (PubChem CID 17179067) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
PubChem CID17179067
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H20ClNO2/c1-14(2)13-23-18-10-6-5-9-17(18)21-19(22)12-11-15-7-3-4-8-16(15)20/h3-10H,1,11-13H2,2H3,(H,21,22)
InChIKeyQQBNIPMFCMXFKP-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
3-(2-chlorophenyl)-N-(2-methylprop-2-enyl)propanamide
CID 114618383
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 131918480
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide (CID 17179067) is 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide is C=C(C)COc1ccccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The InChIKey is QQBNIPMFCMXFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-14(2)13-23-18-10-6-5-9-17(18)21-19(22)12-11-15-7-3-4-8-16(15)20/h3-10H,1,11-13H2,2H3,(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide has a molecular weight of 329.83 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide is sourced from PubChem (CID 17179067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).