4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide

C19H19F2N3O2 — CID 46568070

IUPAC4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CC(=O)Nc2cc(F)ccc2F)C2CC2)cc1
InChIInChI=1S/C19H19F2N3O2/c20-14-5-8-16(21)17(9-14)23-18(25)11-24(15-6-7-15)10-12-1-3-13(4-2-12)19(22)26/h1-5,8-9,15H,6-7,10-11H2,(H2,22,26)(H,23,25)
InChIKeyXEZZXCUHAFMDBM-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.67
Rot. Bonds7

About 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide

4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 46568070) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID46568070
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CC(=O)Nc2cc(F)ccc2F)C2CC2)cc1
InChIInChI=1S/C19H19F2N3O2/c20-14-5-8-16(21)17(9-14)23-18(25)11-24(15-6-7-15)10-12-1-3-13(4-2-12)19(22)26/h1-5,8-9,15H,6-7,10-11H2,(H2,22,26)(H,23,25)
InChIKeyXEZZXCUHAFMDBM-UHFFFAOYSA-N
XLogP2.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 34408527
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,5-difluorophenyl)acetamide
CID 34717732
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide
CID 46568042
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35885885
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
4-[[[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 46568088

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide (CID 46568070) is 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide is NC(=O)c1ccc(CN(CC(=O)Nc2cc(F)ccc2F)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is XEZZXCUHAFMDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-14-5-8-16(21)17(9-14)23-18(25)11-24(15-6-7-15)10-12-1-3-13(4-2-12)19(22)26/h1-5,8-9,15H,6-7,10-11H2,(H2,22,26)(H,23,25).
What are the key properties of 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide?
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 359.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 46568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).