3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide

C20H22FN3O2 — CID 8906749

IUPAC3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C20H22FN3O2/c1-22-20(26)15-3-2-4-17(11-15)23-19(25)13-24(18-9-10-18)12-14-5-7-16(21)8-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyZCLAHUPESKUSPW-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.79
Rot. Bonds7

About 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide

3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide (PubChem CID 8906749) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
PubChem CID8906749
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C20H22FN3O2/c1-22-20(26)15-3-2-4-17(11-15)23-19(25)13-24(18-9-10-18)12-14-5-7-16(21)8-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyZCLAHUPESKUSPW-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55412859
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
CID 46585354
3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide (CID 8906749) is 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide?
The InChIKey is ZCLAHUPESKUSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-22-20(26)15-3-2-4-17(11-15)23-19(25)13-24(18-9-10-18)12-14-5-7-16(21)8-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide?
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8906749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).