N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide

C20H20ClFN4O — CID 25050807

IUPACN-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
SMILESCn1ncc(Cl)c1-c1ccc(C(=O)NC(CN)Cc2ccccc2)cc1F
InChIInChI=1S/C20H20ClFN4O/c1-26-19(17(21)12-24-26)16-8-7-14(10-18(16)22)20(27)25-15(11-23)9-13-5-3-2-4-6-13/h2-8,10,12,15H,9,11,23H2,1H3,(H,25,27)
InChIKeyMUVATXQVQPISGR-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.18
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide

N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide (PubChem CID 25050807) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
PubChem CID25050807
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
SMILESCn1ncc(Cl)c1-c1ccc(C(=O)NC(CN)Cc2ccccc2)cc1F
InChIInChI=1S/C20H20ClFN4O/c1-26-19(17(21)12-24-26)16-8-7-14(10-18(16)22)20(27)25-15(11-23)9-13-5-3-2-4-6-13/h2-8,10,12,15H,9,11,23H2,1H3,(H,25,27)
InChIKeyMUVATXQVQPISGR-UHFFFAOYSA-N
XLogP3.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide (CID 25050807) is N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide is Cn1ncc(Cl)c1-c1ccc(C(=O)NC(CN)Cc2ccccc2)cc1F.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide?
The InChIKey is MUVATXQVQPISGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-26-19(17(21)12-24-26)16-8-7-14(10-18(16)22)20(27)25-15(11-23)9-13-5-3-2-4-6-13/h2-8,10,12,15H,9,11,23H2,1H3,(H,25,27).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide?
N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide has a molecular weight of 386.86 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 25050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).