(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide

C18H20ClNO2 — CID 99132986

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1cc(O[C@@H](C)C(=O)NCc2ccccc2C)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12-6-4-5-7-15(12)11-20-18(21)14(3)22-16-8-9-17(19)13(2)10-16/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyRPHDZWSRUMERNP-AWEZNQCLSA-N
MW317.82 g/mol
LogP4.04
Rot. Bonds5

About (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 99132986) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID99132986
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1cc(O[C@@H](C)C(=O)NCc2ccccc2C)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12-6-4-5-7-15(12)11-20-18(21)14(3)22-16-8-9-17(19)13(2)10-16/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyRPHDZWSRUMERNP-AWEZNQCLSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
2-(4-chloro-3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132656767
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 9173663
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide (CID 99132986) is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide is Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2C)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is RPHDZWSRUMERNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-6-4-5-7-15(12)11-20-18(21)14(3)22-16-8-9-17(19)13(2)10-16/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 99132986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).