N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide

C17H17ClF2N2O3 — CID 24652282

IUPACN-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(Cl)c2)cc1OC(F)F
InChIInChI=1S/C17H17ClF2N2O3/c1-10(16(23)22-12-5-3-4-11(18)8-12)21-13-6-7-14(24-2)15(9-13)25-17(19)20/h3-10,17,21H,1-2H3,(H,22,23)
InChIKeyIQRVTOJLDNTYJC-UHFFFAOYSA-N
MW370.78 g/mol
LogP4.39
Rot. Bonds7

About N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide

N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide (PubChem CID 24652282) has the molecular formula C17H17ClF2N2O3 and a molecular weight of 370.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
PubChem CID24652282
Molecular FormulaC17H17ClF2N2O3
Molecular Weight370.78 g/mol
Exact Mass370.09
IUPAC NameN-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2cccc(Cl)c2)cc1OC(F)F
InChIInChI=1S/C17H17ClF2N2O3/c1-10(16(23)22-12-5-3-4-11(18)8-12)21-13-6-7-14(24-2)15(9-13)25-17(19)20/h3-10,17,21H,1-2H3,(H,22,23)
InChIKeyIQRVTOJLDNTYJC-UHFFFAOYSA-N
XLogP4.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide (CID 24652282) is N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide is COc1ccc(NC(C)C(=O)Nc2cccc(Cl)c2)cc1OC(F)F.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
The InChIKey is IQRVTOJLDNTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3/c1-10(16(23)22-12-5-3-4-11(18)8-12)21-13-6-7-14(24-2)15(9-13)25-17(19)20/h3-10,17,21H,1-2H3,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide?
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide has a molecular weight of 370.78 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide is sourced from PubChem (CID 24652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).