N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide

C17H15ClF2N2O2 — CID 108955386

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-9-5-10(2)17(12(18)6-9)22-16(24)8-15(23)21-11-3-4-13(19)14(20)7-11/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyICBAKEATMICTQL-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.20
Rot. Bonds4

About N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide

N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide (PubChem CID 108955386) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
PubChem CID108955386
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-9-5-10(2)17(12(18)6-9)22-16(24)8-15(23)21-11-3-4-13(19)14(20)7-11/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyICBAKEATMICTQL-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375622
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982828
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide (CID 108955386) is N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide is Cc1cc(C)c(NC(=O)CC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide?
The InChIKey is ICBAKEATMICTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-9-5-10(2)17(12(18)6-9)22-16(24)8-15(23)21-11-3-4-13(19)14(20)7-11/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide has a molecular weight of 352.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide is sourced from PubChem (CID 108955386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).