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

C18H20Cl2N2O3 — CID 109039005

IUPAC3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C)c(Cl)cc2OC)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-11-8-15(17(25-3)10-13(11)19)21-7-6-18(23)22-12-4-5-16(24-2)14(20)9-12/h4-5,8-10,21H,6-7H2,1-3H3,(H,22,23)
InChIKeyOJDYGYGOZNOBNT-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.76
Rot. Bonds7

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

3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 109039005) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID109039005
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C)c(Cl)cc2OC)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-11-8-15(17(25-3)10-13(11)19)21-7-6-18(23)22-12-4-5-16(24-2)14(20)9-12/h4-5,8-10,21H,6-7H2,1-3H3,(H,22,23)
InChIKeyOJDYGYGOZNOBNT-UHFFFAOYSA-N
XLogP4.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036891
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041770
methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 109039005) is 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cc(C)c(Cl)cc2OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is OJDYGYGOZNOBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-11-8-15(17(25-3)10-13(11)19)21-7-6-18(23)22-12-4-5-16(24-2)14(20)9-12/h4-5,8-10,21H,6-7H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 383.28 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 109039005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).