2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide

C16H16ClFN2O — CID 50981009

IUPAC2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CNCc1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C16H16ClFN2O/c17-14-7-5-12(6-8-14)9-19-11-16(21)20-10-13-3-1-2-4-15(13)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyPHARMMYBTPYAEA-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.89
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide

2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 50981009) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID50981009
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CNCc1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C16H16ClFN2O/c17-14-7-5-12(6-8-14)9-19-11-16(21)20-10-13-3-1-2-4-15(13)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyPHARMMYBTPYAEA-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide (CID 50981009) is 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide is O=C(CNCc1ccc(Cl)cc1)NCc1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is PHARMMYBTPYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-14-7-5-12(6-8-14)9-19-11-16(21)20-10-13-3-1-2-4-15(13)18/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 306.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50981009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).