N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide

C16H16FN3O2 — CID 39185722

IUPACN-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2)c(NC(=O)CN)c1
InChIInChI=1S/C16H16FN3O2/c1-10-5-6-13(14(7-10)19-15(21)9-18)20-16(22)11-3-2-4-12(17)8-11/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyQUXZPQSJHVOSBA-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.28
Rot. Bonds4

About N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide

N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide (PubChem CID 39185722) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
PubChem CID39185722
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2)c(NC(=O)CN)c1
InChIInChI=1S/C16H16FN3O2/c1-10-5-6-13(14(7-10)19-15(21)9-18)20-16(22)11-3-2-4-12(17)8-11/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyQUXZPQSJHVOSBA-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]-3-methylbenzamide
CID 39184908
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]pyridine-3-carboxamide
CID 39184022
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
CID 39186055

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide (CID 39185722) is N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide is Cc1ccc(NC(=O)c2cccc(F)c2)c(NC(=O)CN)c1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide?
The InChIKey is QUXZPQSJHVOSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10-5-6-13(14(7-10)19-15(21)9-18)20-16(22)11-3-2-4-12(17)8-11/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide?
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide is sourced from PubChem (CID 39185722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).