(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide

C19H22ClNO2 — CID 92677886

IUPAC(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
SMILESCc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-14-6-3-7-16(12-14)8-5-11-21-19(22)15(2)23-18-10-4-9-17(20)13-18/h3-4,6-7,9-10,12-13,15H,5,8,11H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyCATYTCZYUSAUEO-OAHLLOKOSA-N
MW331.84 g/mol
LogP4.16
Rot. Bonds7

About (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide (PubChem CID 92677886) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
PubChem CID92677886
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
SMILESCc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-14-6-3-7-16(12-14)8-5-11-21-19(22)15(2)23-18-10-4-9-17(20)13-18/h3-4,6-7,9-10,12-13,15H,5,8,11H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyCATYTCZYUSAUEO-OAHLLOKOSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide (CID 92677886) is (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide is Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide?
The InChIKey is CATYTCZYUSAUEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-6-3-7-16(12-14)8-5-11-21-19(22)15(2)23-18-10-4-9-17(20)13-18/h3-4,6-7,9-10,12-13,15H,5,8,11H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide is sourced from PubChem (CID 92677886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).