N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide

C18H17ClF2N2O2 — CID 108962767

IUPACN-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1Cl)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-18(2,16(24)22-10-11-6-3-4-7-12(11)19)17(25)23-15-13(20)8-5-9-14(15)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIULUIKAQVOKJFX-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.90
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide

N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108962767) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108962767
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1Cl)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-18(2,16(24)22-10-11-6-3-4-7-12(11)19)17(25)23-15-13(20)8-5-9-14(15)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIULUIKAQVOKJFX-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.90
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

N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide (CID 108962767) is N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccccc1Cl)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is IULUIKAQVOKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-18(2,16(24)22-10-11-6-3-4-7-12(11)19)17(25)23-15-13(20)8-5-9-14(15)21/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide?
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 366.80 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).