3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide

C19H22ClNO2 — CID 17179049

IUPAC3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H22ClNO2/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/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyPGMWXAAOERBCNQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.95
Rot. Bonds7

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

3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide (PubChem CID 17179049) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
PubChem CID17179049
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccccc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H22ClNO2/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/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyPGMWXAAOERBCNQ-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17179067
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
4-hydroxy-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 79203312
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54812960
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide (CID 17179049) is 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccccc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is PGMWXAAOERBCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/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/h3-10,14H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide?
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.95, 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-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 17179049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).