N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide

C23H19ClFN3O4 — CID 55945079

IUPACN-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C23H19ClFN3O4/c1-32-20-10-8-16(27-21(29)13-26-22(30)14-5-3-2-4-6-14)12-19(20)28-23(31)17-9-7-15(24)11-18(17)25/h2-12H,13H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyGXMLQMGADJGACJ-UHFFFAOYSA-N
MW455.87 g/mol
LogP4.11
Rot. Bonds7

About N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide

N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide (PubChem CID 55945079) has the molecular formula C23H19ClFN3O4 and a molecular weight of 455.87 g/mol. Its IUPAC name is N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
PubChem CID55945079
Molecular FormulaC23H19ClFN3O4
Molecular Weight455.87 g/mol
Exact Mass455.10
IUPAC NameN-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C23H19ClFN3O4/c1-32-20-10-8-16(27-21(29)13-26-22(30)14-5-3-2-4-6-14)12-19(20)28-23(31)17-9-7-15(24)11-18(17)25/h2-12H,13H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyGXMLQMGADJGACJ-UHFFFAOYSA-N
XLogP4.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
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4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide?
The IUPAC name of N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide (CID 55945079) is N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide is COc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide?
The InChIKey is GXMLQMGADJGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4/c1-32-20-10-8-16(27-21(29)13-26-22(30)14-5-3-2-4-6-14)12-19(20)28-23(31)17-9-7-15(24)11-18(17)25/h2-12H,13H2,1H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide?
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide has a molecular weight of 455.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 55945079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).