N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide

C18H21ClN2O4 — CID 109038965

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H21ClN2O4/c1-23-13-5-6-15(17(11-13)25-3)20-9-8-18(22)21-12-4-7-16(24-2)14(19)10-12/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyDFWXWGHWRQDGHM-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.81
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide (PubChem CID 109038965) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
PubChem CID109038965
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H21ClN2O4/c1-23-13-5-6-15(17(11-13)25-3)20-9-8-18(22)21-12-4-7-16(24-2)14(19)10-12/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyDFWXWGHWRQDGHM-UHFFFAOYSA-N
XLogP3.81
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
3-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109040495
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide (CID 109038965) is N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide?
The InChIKey is DFWXWGHWRQDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-23-13-5-6-15(17(11-13)25-3)20-9-8-18(22)21-12-4-7-16(24-2)14(19)10-12/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide has a molecular weight of 364.83 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 109038965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).