2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide

C18H21ClN2O3 — CID 42912800

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)Nc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C18H21ClN2O3/c1-11-8-16(17(24-4)10-15(11)19)20-12(2)18(22)21-13-6-5-7-14(9-13)23-3/h5-10,12,20H,1-4H3,(H,21,22)
InChIKeyOYNODNAYZUIYKM-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide (PubChem CID 42912800) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
PubChem CID42912800
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)Nc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C18H21ClN2O3/c1-11-8-16(17(24-4)10-15(11)19)20-12(2)18(22)21-13-6-5-7-14(9-13)23-3/h5-10,12,20H,1-4H3,(H,21,22)
InChIKeyOYNODNAYZUIYKM-UHFFFAOYSA-N
XLogP4.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide
CID 35970323
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
CID 41022398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide (CID 42912800) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)C(C)Nc2cc(C)c(Cl)cc2OC)c1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide?
The InChIKey is OYNODNAYZUIYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11-8-16(17(24-4)10-15(11)19)20-12(2)18(22)21-13-6-5-7-14(9-13)23-3/h5-10,12,20H,1-4H3,(H,21,22).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 42912800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).