N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide

C23H21F2N3O2 — CID 41074869

IUPACN-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C23H21F2N3O2/c1-15(16-5-4-6-18(25)13-16)26-14-22(29)28-21-8-3-2-7-20(21)23(30)27-19-11-9-17(24)10-12-19/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1
InChIKeyDRHVUOJEIXVYCD-OAHLLOKOSA-N
MW409.44 g/mol
LogP4.51
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide

N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide (PubChem CID 41074869) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
PubChem CID41074869
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C23H21F2N3O2/c1-15(16-5-4-6-18(25)13-16)26-14-22(29)28-21-8-3-2-7-20(21)23(30)27-19-11-9-17(24)10-12-19/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1
InChIKeyDRHVUOJEIXVYCD-OAHLLOKOSA-N
XLogP4.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 25387377
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 41075466
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(2-acetylphenyl)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331826
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
N-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17454524

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide (CID 41074869) is N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide is C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is DRHVUOJEIXVYCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-15(16-5-4-6-18(25)13-16)26-14-22(29)28-21-8-3-2-7-20(21)23(30)27-19-11-9-17(24)10-12-19/h2-13,15,26H,14H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 409.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 41074869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).