N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide

C15H13FN2O2 — CID 170860390

IUPACN-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
SMILESNCC(=O)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O2/c16-12-5-1-4-11(7-12)15(20)18-13-6-2-3-10(8-13)14(19)9-17/h1-8H,9,17H2,(H,18,20)
InChIKeySGUIDVOGMXENKV-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.22
Rot. Bonds4

About N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide

N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide (PubChem CID 170860390) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
PubChem CID170860390
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
SMILESNCC(=O)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O2/c16-12-5-1-4-11(7-12)15(20)18-13-6-2-3-10(8-13)14(19)9-17/h1-8H,9,17H2,(H,18,20)
InChIKeySGUIDVOGMXENKV-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide
CID 170860902
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 86817394
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide (CID 170860390) is N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide is NCC(=O)c1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide?
The InChIKey is SGUIDVOGMXENKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-5-1-4-11(7-12)15(20)18-13-6-2-3-10(8-13)14(19)9-17/h1-8H,9,17H2,(H,18,20).
What are the key properties of N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide?
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide has a molecular weight of 272.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 170860390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).