N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide

C21H23FN2O2 — CID 91518477

IUPACN-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide
SMILESO=C(CCCc1ccccc1F)NCc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H23FN2O2/c22-19-9-2-1-6-16(19)7-4-10-20(25)23-14-15-5-3-8-17(13-15)21(26)24-18-11-12-18/h1-3,5-6,8-9,13,18H,4,7,10-12,14H2,(H,23,25)(H,24,26)
InChIKeyNAROWUWGZRHNLA-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.36
Rot. Bonds8

About N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide

N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide (PubChem CID 91518477) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide
PubChem CID91518477
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide
SMILESO=C(CCCc1ccccc1F)NCc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H23FN2O2/c22-19-9-2-1-6-16(19)7-4-10-20(25)23-14-15-5-3-8-17(13-15)21(26)24-18-11-12-18/h1-3,5-6,8-9,13,18H,4,7,10-12,14H2,(H,23,25)(H,24,26)
InChIKeyNAROWUWGZRHNLA-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
CID 86812608
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide
CID 97077046
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430
N-[4-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-4-oxobutyl]benzamide
CID 75394264
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide (CID 91518477) is N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide is O=C(CCCc1ccccc1F)NCc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide?
The InChIKey is NAROWUWGZRHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-9-2-1-6-16(19)7-4-10-20(25)23-14-15-5-3-8-17(13-15)21(26)24-18-11-12-18/h1-3,5-6,8-9,13,18H,4,7,10-12,14H2,(H,23,25)(H,24,26).
What are the key properties of N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide?
N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide is sourced from PubChem (CID 91518477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).