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

C15H13ClFN3O2 — CID 39186063

IUPACN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
SMILESNCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c16-12-7-11(19-14(21)8-18)4-5-13(12)20-15(22)9-2-1-3-10(17)6-9/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyHEJCOUMLFALHPL-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.63
Rot. Bonds4

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

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide (PubChem CID 39186063) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
PubChem CID39186063
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
SMILESNCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c16-12-7-11(19-14(21)8-18)4-5-13(12)20-15(22)9-2-1-3-10(17)6-9/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyHEJCOUMLFALHPL-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
CID 39186055
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
CID 39184782
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide (CID 39186063) is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide is NCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)c(Cl)c1.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide?
The InChIKey is HEJCOUMLFALHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-12-7-11(19-14(21)8-18)4-5-13(12)20-15(22)9-2-1-3-10(17)6-9/h1-7H,8,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide?
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide has a molecular weight of 321.74 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide is sourced from PubChem (CID 39186063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).