N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide

C18H20ClNO2 — CID 53266190

IUPACN-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-7-12(2)9-16(8-11)22-14(4)18(21)20-17-6-5-15(19)10-13(17)3/h5-10,14H,1-4H3,(H,20,21)
InChIKeySLTQKXVMKUNOPP-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide

N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 53266190) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID53266190
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-7-12(2)9-16(8-11)22-14(4)18(21)20-17-6-5-15(19)10-13(17)3/h5-10,14H,1-4H3,(H,20,21)
InChIKeySLTQKXVMKUNOPP-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide (CID 53266190) is N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is SLTQKXVMKUNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-7-12(2)9-16(8-11)22-14(4)18(21)20-17-6-5-15(19)10-13(17)3/h5-10,14H,1-4H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide?
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).