2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide

C18H20ClNO2 — CID 18114553

IUPAC2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-13-6-3-4-7-15(13)10-11-20-18(21)14(2)22-17-9-5-8-16(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyXHBQUHQISCIJEF-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.77
Rot. Bonds6

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

2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 18114553) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID18114553
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-13-6-3-4-7-15(13)10-11-20-18(21)14(2)22-17-9-5-8-16(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyXHBQUHQISCIJEF-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
CID 92677886
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(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
2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 43003068
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide (CID 18114553) is 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is XHBQUHQISCIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-6-3-4-7-15(13)10-11-20-18(21)14(2)22-17-9-5-8-16(19)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide?
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 317.82 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 18114553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).