N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide

C22H21FN4O2 — CID 139325488

IUPACN-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1
InChIInChI=1S/C22H21FN4O2/c23-17-8-11-19(24)20(13-17)27-22(29)16-6-9-18(10-7-16)26-21(28)5-1-3-15-4-2-12-25-14-15/h2,4,6-14H,1,3,5,24H2,(H,26,28)(H,27,29)
InChIKeyPNRNDVATXDFROM-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.02
Rot. Bonds7

About N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide

N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide (PubChem CID 139325488) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
PubChem CID139325488
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1
InChIInChI=1S/C22H21FN4O2/c23-17-8-11-19(24)20(13-17)27-22(29)16-6-9-18(10-7-16)26-21(28)5-1-3-15-4-2-12-25-14-15/h2,4,6-14H,1,3,5,24H2,(H,26,28)(H,27,29)
InChIKeyPNRNDVATXDFROM-UHFFFAOYSA-N
XLogP4.02
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.02
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-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
N-(2-amino-5-fluorophenyl)-4-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]benzamide
CID 68846360
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-(2-amino-5-fluorophenyl)-4-[(1-pyridin-3-ylethylcarbamoylamino)methyl]benzamide
CID 59932620
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
N'-hydroxy-N-phenyloctanediamide;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 42601430
methyl 4-amino-3-[[7-(4-fluoroanilino)-7-oxoheptanoyl]amino]benzoate
CID 45255098
N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 161179981
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
CID 110482697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide (CID 139325488) is N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide is Nc1ccc(F)cc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
The InChIKey is PNRNDVATXDFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-8-11-19(24)20(13-17)27-22(29)16-6-9-18(10-7-16)26-21(28)5-1-3-15-4-2-12-25-14-15/h2,4,6-14H,1,3,5,24H2,(H,26,28)(H,27,29).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide has a molecular weight of 392.43 g/mol, XLogP of 4.02, 7 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-(4-pyridin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 139325488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).