2-anilino-N-[(3-fluorophenyl)methyl]acetamide

C15H15FN2O — CID 54927417

IUPAC2-anilino-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c16-13-6-4-5-12(9-13)10-18-15(19)11-17-14-7-2-1-3-8-14/h1-9,17H,10-11H2,(H,18,19)
InChIKeyTWMXXKREYYNMHM-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.55
Rot. Bonds5

About 2-anilino-N-[(3-fluorophenyl)methyl]acetamide

2-anilino-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 54927417) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-anilino-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID54927417
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-anilino-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c16-13-6-4-5-12(9-13)10-18-15(19)11-17-14-7-2-1-3-8-14/h1-9,17H,10-11H2,(H,18,19)
InChIKeyTWMXXKREYYNMHM-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
2-(3-fluoroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31665741
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
N-[(4-fluorophenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814822
N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328410
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
N-benzyl-2-(3-propan-2-ylanilino)acetamide
CID 28829787

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-anilino-N-[(3-fluorophenyl)methyl]acetamide (CID 54927417) is 2-anilino-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-anilino-N-[(3-fluorophenyl)methyl]acetamide is O=C(CNc1ccccc1)NCc1cccc(F)c1.
What is the InChIKey of 2-anilino-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is TWMXXKREYYNMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-6-4-5-12(9-13)10-18-15(19)11-17-14-7-2-1-3-8-14/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 2-anilino-N-[(3-fluorophenyl)methyl]acetamide?
2-anilino-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 258.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 54927417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).