5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide

C15H14FN3O2 — CID 43706567

IUPAC5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)C(N)c2ccccc2)ccc1F
InChIInChI=1S/C15H14FN3O2/c16-12-7-6-10(8-11(12)14(18)20)19-15(21)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H2,18,20)(H,19,21)
InChIKeyCTHDVAOPBXEKKK-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.56
Rot. Bonds4

About 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide

5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide (PubChem CID 43706567) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
PubChem CID43706567
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)C(N)c2ccccc2)ccc1F
InChIInChI=1S/C15H14FN3O2/c16-12-7-6-10(8-11(12)14(18)20)19-15(21)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H2,18,20)(H,19,21)
InChIKeyCTHDVAOPBXEKKK-UHFFFAOYSA-N
XLogP1.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897353
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide?
The IUPAC name of 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide (CID 43706567) is 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide?
The canonical SMILES for 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide is NC(=O)c1cc(NC(=O)C(N)c2ccccc2)ccc1F.
What is the InChIKey of 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide?
The InChIKey is CTHDVAOPBXEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-7-6-10(8-11(12)14(18)20)19-15(21)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H2,18,20)(H,19,21).
What are the key properties of 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide?
5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide has a molecular weight of 287.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 43706567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).