N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide

C16H16ClFN2O — CID 115695815

IUPACN-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc(Cl)c1F)NCc1ccccc1
InChIInChI=1S/C16H16ClFN2O/c17-14-8-4-7-13(16(14)18)10-19-11-15(21)20-9-12-5-2-1-3-6-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyCQKYRWWLFFVGRO-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.89
Rot. Bonds6

About N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide

N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide (PubChem CID 115695815) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
PubChem CID115695815
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc(Cl)c1F)NCc1ccccc1
InChIInChI=1S/C16H16ClFN2O/c17-14-8-4-7-13(16(14)18)10-19-11-15(21)20-9-12-5-2-1-3-6-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyCQKYRWWLFFVGRO-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

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CID 102615525
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
CID 61317882
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 103948345
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
CID 82364686

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide (CID 115695815) is N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide is O=C(CNCc1cccc(Cl)c1F)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide?
The InChIKey is CQKYRWWLFFVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-14-8-4-7-13(16(14)18)10-19-11-15(21)20-9-12-5-2-1-3-6-12/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide?
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]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 N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 115695815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).