2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C17H17ClFNO — CID 110437648

IUPAC2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-17(2,13-4-3-5-14(18)10-13)16(21)20-11-12-6-8-15(19)9-7-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyLVMWVNBBGYPLKI-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 110437648) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID110437648
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-17(2,13-4-3-5-14(18)10-13)16(21)20-11-12-6-8-15(19)9-7-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyLVMWVNBBGYPLKI-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226257
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 110437686
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
2-(3-chlorophenyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 110437667
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 110437648) is 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CC(C)(C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is LVMWVNBBGYPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-17(2,13-4-3-5-14(18)10-13)16(21)20-11-12-6-8-15(19)9-7-12/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 305.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 110437648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).