2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

C20H20FN5O2 — CID 55932406

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN5O2/c21-17-8-6-15(7-9-17)12-22-20(28)23-13-19(27)25-18-5-2-1-4-16(18)14-26-11-3-10-24-26/h1-11H,12-14H2,(H,25,27)(H2,22,23,28)
InChIKeyBUYPAUWHKGZAMH-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.51
Rot. Bonds7

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55932406) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID55932406
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN5O2/c21-17-8-6-15(7-9-17)12-22-20(28)23-13-19(27)25-18-5-2-1-4-16(18)14-26-11-3-10-24-26/h1-11H,12-14H2,(H,25,27)(H2,22,23,28)
InChIKeyBUYPAUWHKGZAMH-UHFFFAOYSA-N
XLogP2.51
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide 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

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55978479
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439500
1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695482
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55934058
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643149
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 86828516

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 55932406) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is BUYPAUWHKGZAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-17-8-6-15(7-9-17)12-22-20(28)23-13-19(27)25-18-5-2-1-4-16(18)14-26-11-3-10-24-26/h1-11H,12-14H2,(H,25,27)(H2,22,23,28).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55932406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).