N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide

C18H20ClNO2 — CID 19226053

IUPACN-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-22-16-9-5-14(6-10-16)7-11-18(21)20-15-8-4-13(2)17(19)12-15/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,20,21)
InChIKeySJSHXAPDSKQIHK-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.62
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide

N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 19226053) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
PubChem CID19226053
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-22-16-9-5-14(6-10-16)7-11-18(21)20-15-8-4-13(2)17(19)12-15/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,20,21)
InChIKeySJSHXAPDSKQIHK-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide (CID 19226053) is N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is SJSHXAPDSKQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-22-16-9-5-14(6-10-16)7-11-18(21)20-15-8-4-13(2)17(19)12-15/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide?
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 19226053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).