2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide

C23H22FN3O2 — CID 2474016

IUPAC2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C23H22FN3O2/c1-27(15-17-9-5-7-13-20(17)24)16-22(28)26-21-14-8-6-12-19(21)23(29)25-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyCOVQNLYZYBDSOM-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.15
Rot. Bonds7

About 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 2474016) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID2474016
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C23H22FN3O2/c1-27(15-17-9-5-7-13-20(17)24)16-22(28)26-21-14-8-6-12-19(21)23(29)25-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyCOVQNLYZYBDSOM-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 8005528
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18196296
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27253562
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide (CID 2474016) is 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccccc1F.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is COVQNLYZYBDSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-27(15-17-9-5-7-13-20(17)24)16-22(28)26-21-14-8-6-12-19(21)23(29)25-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 2474016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).