N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide

C15H12ClF2N3O2 — CID 39184030

IUPACN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H12ClF2N3O2/c16-9-2-1-3-10(18)14(9)15(23)21-11-5-4-8(17)6-12(11)20-13(22)7-19/h1-6H,7,19H2,(H,20,22)(H,21,23)
InChIKeyPFRJKKZBCCIAPU-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.77
Rot. Bonds4

About N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide (PubChem CID 39184030) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
PubChem CID39184030
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H12ClF2N3O2/c16-9-2-1-3-10(18)14(9)15(23)21-11-5-4-8(17)6-12(11)20-13(22)7-19/h1-6H,7,19H2,(H,20,22)(H,21,23)
InChIKeyPFRJKKZBCCIAPU-UHFFFAOYSA-N
XLogP2.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]pyridine-3-carboxamide
CID 39184022
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113093094
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide (CID 39184030) is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide is NCC(=O)Nc1cc(F)ccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide?
The InChIKey is PFRJKKZBCCIAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c16-9-2-1-3-10(18)14(9)15(23)21-11-5-4-8(17)6-12(11)20-13(22)7-19/h1-6H,7,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide?
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide has a molecular weight of 339.73 g/mol, XLogP of 2.77, 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-fluorophenyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 39184030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).