N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide

C21H20FN5O2 — CID 68846360

IUPACN-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide
SMILESCN(C(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2N)cc1)c1cccnc1
InChIInChI=1S/C21H20FN5O2/c1-27(17-3-2-10-24-13-17)21(29)25-12-14-4-6-15(7-5-14)20(28)26-19-11-16(22)8-9-18(19)23/h2-11,13H,12,23H2,1H3,(H,25,29)(H,26,28)
InChIKeyACWQYADKGAOWCC-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.40
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide

N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide (PubChem CID 68846360) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide
PubChem CID68846360
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide
SMILESCN(C(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2N)cc1)c1cccnc1
InChIInChI=1S/C21H20FN5O2/c1-27(17-3-2-10-24-13-17)21(29)25-12-14-4-6-15(7-5-14)20(28)26-19-11-16(22)8-9-18(19)23/h2-11,13H,12,23H2,1H3,(H,25,29)(H,26,28)
InChIKeyACWQYADKGAOWCC-UHFFFAOYSA-N
XLogP3.40
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-[(1-pyridin-3-ylethylcarbamoylamino)methyl]benzamide
CID 59932620
N-(2-amino-4-fluorophenyl)-4-[(2-pyridin-3-ylprop-2-enoylamino)methyl]benzamide
CID 69060444
N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 71478084
N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 139325488
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
pyridin-3-ylmethyl N-[[4-[(2-amino-5-pyridin-4-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 59737468
pyridin-3-ylmethyl N-[[4-[(2-amino-4-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10572471
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
N-(3-amino-4-pyridinyl)-4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 44594108
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
5-N-(2,4-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106077

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide (CID 68846360) is N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide is CN(C(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2N)cc1)c1cccnc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide?
The InChIKey is ACWQYADKGAOWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-27(17-3-2-10-24-13-17)21(29)25-12-14-4-6-15(7-5-14)20(28)26-19-11-16(22)8-9-18(19)23/h2-11,13H,12,23H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide?
N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide has a molecular weight of 393.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 68846360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).