2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

C18H20ClNO2 — CID 133190294

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cc(OC(C)C(=O)N[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12-11-16(9-10-17(12)19)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,20,21)/t13-,14?/m0/s1
InChIKeyDQIQRUXKVRJLNA-LSLKUGRBSA-N
MW317.82 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 133190294) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID133190294
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1cc(OC(C)C(=O)N[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12-11-16(9-10-17(12)19)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,20,21)/t13-,14?/m0/s1
InChIKeyDQIQRUXKVRJLNA-LSLKUGRBSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
CID 129439724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide (CID 133190294) is 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide is Cc1cc(OC(C)C(=O)N[C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is DQIQRUXKVRJLNA-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-11-16(9-10-17(12)19)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13-14H,1-3H3,(H,20,21)/t13-,14?/m0/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 133190294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).