N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

C22H21FN4O2 — CID 135231083

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1ccncc1)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN4O2/c23-19-5-1-16(2-6-19)11-14-25-21(28)18-3-7-20(8-4-18)27-22(29)26-15-17-9-12-24-13-10-17/h1-10,12-13H,11,14-15H2,(H,25,28)(H2,26,27,29)
InChIKeyRUJQDKOBTNXKRA-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135231083) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
PubChem CID135231083
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1ccncc1)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN4O2/c23-19-5-1-16(2-6-19)11-14-25-21(28)18-3-7-20(8-4-18)27-22(29)26-15-17-9-12-24-13-10-17/h1-10,12-13H,11,14-15H2,(H,25,28)(H2,26,27,29)
InChIKeyRUJQDKOBTNXKRA-UHFFFAOYSA-N
XLogP3.51
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[(2,6-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778426
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231176
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
N-[(2,6-dichlorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778259
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
CID 84505391

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide (CID 135231083) is N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide is O=C(NCc1ccncc1)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is RUJQDKOBTNXKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-19-5-1-16(2-6-19)11-14-25-21(28)18-3-7-20(8-4-18)27-22(29)26-15-17-9-12-24-13-10-17/h1-10,12-13H,11,14-15H2,(H,25,28)(H2,26,27,29).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135231083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).