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

C18H20ClNO2 — CID 4198833

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Oc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClNO2/c1-12-4-6-15(7-5-12)11-20-18(21)14(3)22-17-9-8-16(19)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyDPMOEMHUFHIHTM-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.04
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 4198833) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID4198833
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Oc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H20ClNO2/c1-12-4-6-15(7-5-12)11-20-18(21)14(3)22-17-9-8-16(19)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyDPMOEMHUFHIHTM-UHFFFAOYSA-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

(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 51725187
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133163191
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide (CID 4198833) is 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)Oc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is DPMOEMHUFHIHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-4-6-15(7-5-12)11-20-18(21)14(3)22-17-9-8-16(19)10-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[(4-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 2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 4198833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).