4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide

C22H18F2N2O3 — CID 87005359

IUPAC4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(COc1ccccc1F)Nc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C22H18F2N2O3/c23-18-6-2-1-5-16(18)13-25-22(28)15-9-11-17(12-10-15)26-21(27)14-29-20-8-4-3-7-19(20)24/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyFCCOGUJCVDPIPM-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.91
Rot. Bonds7

About 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide

4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 87005359) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID87005359
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC Name4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(COc1ccccc1F)Nc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C22H18F2N2O3/c23-18-6-2-1-5-16(18)13-25-22(28)15-9-11-17(12-10-15)26-21(27)14-29-20-8-4-3-7-19(20)24/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyFCCOGUJCVDPIPM-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 121062403
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120588562
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 2326558
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide (CID 87005359) is 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide is O=C(COc1ccccc1F)Nc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is FCCOGUJCVDPIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c23-18-6-2-1-5-16(18)13-25-22(28)15-9-11-17(12-10-15)26-21(27)14-29-20-8-4-3-7-19(20)24/h1-12H,13-14H2,(H,25,28)(H,26,27).
What are the key properties of 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 396.39 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 87005359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).