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

C18H21ClN2O3 — CID 47877577

IUPACN-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H21ClN2O3/c1-12-4-6-16(23-2)14(10-12)20-9-8-18(22)21-15-11-13(19)5-7-17(15)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyUFHPEPLOZAQPHD-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.11
Rot. Bonds7

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

N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide (PubChem CID 47877577) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
PubChem CID47877577
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H21ClN2O3/c1-12-4-6-16(23-2)14(10-12)20-9-8-18(22)21-15-11-13(19)5-7-17(15)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyUFHPEPLOZAQPHD-UHFFFAOYSA-N
XLogP4.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide (CID 47877577) is N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide is COc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The InChIKey is UFHPEPLOZAQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-4-6-16(23-2)14(10-12)20-9-8-18(22)21-15-11-13(19)5-7-17(15)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide has a molecular weight of 348.83 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide is sourced from PubChem (CID 47877577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).