N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide

C18H20Cl2N2O4 — CID 109042527

IUPACN-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C18H20Cl2N2O4/c1-24-15-9-12(10-16(25-2)18(15)26-3)21-7-6-17(23)22-11-4-5-13(19)14(20)8-11/h4-5,8-10,21H,6-7H2,1-3H3,(H,22,23)
InChIKeyUJGAWPBNXNNWRI-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.46
Rot. Bonds8

About N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide

N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 109042527) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
PubChem CID109042527
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC NameN-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C18H20Cl2N2O4/c1-24-15-9-12(10-16(25-2)18(15)26-3)21-7-6-17(23)22-11-4-5-13(19)14(20)8-11/h4-5,8-10,21H,6-7H2,1-3H3,(H,22,23)
InChIKeyUJGAWPBNXNNWRI-UHFFFAOYSA-N
XLogP4.46
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.46
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

N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide (CID 109042527) is N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is UJGAWPBNXNNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c1-24-15-9-12(10-16(25-2)18(15)26-3)21-7-6-17(23)22-11-4-5-13(19)14(20)8-11/h4-5,8-10,21H,6-7H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 399.27 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 109042527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).