N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide

C16H15Cl2FN2O2 — CID 55430557

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O2/c1-9(20-10-4-6-15(23-2)13(18)8-10)16(22)21-11-3-5-14(19)12(17)7-11/h3-9,20H,1-2H3,(H,21,22)
InChIKeyQCEDPDPIQBOSGB-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.58
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide

N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide (PubChem CID 55430557) has the molecular formula C16H15Cl2FN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
PubChem CID55430557
Molecular FormulaC16H15Cl2FN2O2
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O2/c1-9(20-10-4-6-15(23-2)13(18)8-10)16(22)21-11-3-5-14(19)12(17)7-11/h3-9,20H,1-2H3,(H,21,22)
InChIKeyQCEDPDPIQBOSGB-UHFFFAOYSA-N
XLogP4.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 55572161
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide (CID 55430557) is N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide is COc1ccc(NC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide?
The InChIKey is QCEDPDPIQBOSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O2/c1-9(20-10-4-6-15(23-2)13(18)8-10)16(22)21-11-3-5-14(19)12(17)7-11/h3-9,20H,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide?
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide has a molecular weight of 357.21 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide is sourced from PubChem (CID 55430557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).