N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide

C17H18Cl2N2O2 — CID 109038439

IUPACN-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1cc(Cl)ccc1C
InChIInChI=1S/C17H18Cl2N2O2/c1-11-3-4-12(18)9-14(11)20-8-7-17(22)21-15-10-13(19)5-6-16(15)23-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyDIHXLTAWTVNUJN-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.75
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide (PubChem CID 109038439) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
PubChem CID109038439
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1cc(Cl)ccc1C
InChIInChI=1S/C17H18Cl2N2O2/c1-11-3-4-12(18)9-14(11)20-8-7-17(22)21-15-10-13(19)5-6-16(15)23-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyDIHXLTAWTVNUJN-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide (CID 109038439) is N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide is COc1ccc(Cl)cc1NC(=O)CCNc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide?
The InChIKey is DIHXLTAWTVNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-3-4-12(18)9-14(11)20-8-7-17(22)21-15-10-13(19)5-6-16(15)23-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide has a molecular weight of 353.25 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide is sourced from PubChem (CID 109038439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).