N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide

C26H28F2N4O2 — CID 23735604

IUPACN-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)NCCN)cc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C26H28F2N4O2/c1-32(12-9-18-5-3-2-4-6-18)17-20-8-7-19(25(33)30-11-10-29)15-24(20)31-26(34)21-13-22(27)16-23(28)14-21/h2-8,13-16H,9-12,17,29H2,1H3,(H,30,33)(H,31,34)
InChIKeyGSAGUOXGOYKXBU-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.58
Rot. Bonds10

About N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide

N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide (PubChem CID 23735604) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
PubChem CID23735604
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC NameN-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)NCCN)cc1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C26H28F2N4O2/c1-32(12-9-18-5-3-2-4-6-18)17-20-8-7-19(25(33)30-11-10-29)15-24(20)31-26(34)21-13-22(27)16-23(28)14-21/h2-8,13-16H,9-12,17,29H2,1H3,(H,30,33)(H,31,34)
InChIKeyGSAGUOXGOYKXBU-UHFFFAOYSA-N
XLogP3.58
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23854086
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
3-(2-aminoethyl)-4-ethyl-N-(3-phenylpropyl)benzamide
CID 143044176
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 1228449
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide (CID 23735604) is N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide is CN(CCc1ccccc1)Cc1ccc(C(=O)NCCN)cc1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
The InChIKey is GSAGUOXGOYKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-32(12-9-18-5-3-2-4-6-18)17-20-8-7-19(25(33)30-11-10-29)15-24(20)31-26(34)21-13-22(27)16-23(28)14-21/h2-8,13-16H,9-12,17,29H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide?
N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide has a molecular weight of 466.53 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide is sourced from PubChem (CID 23735604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).