3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide

C18H18F2N2O2 — CID 56819888

IUPAC3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
SMILESNC(=O)C(CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O2/c19-15-7-5-12(6-8-15)9-14(18(21)24)11-22-17(23)10-13-3-1-2-4-16(13)20/h1-8,14H,9-11H2,(H2,21,24)(H,22,23)
InChIKeyLOGXDYVMMKIZQU-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.97
Rot. Bonds7

About 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide

3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide (PubChem CID 56819888) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
PubChem CID56819888
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
SMILESNC(=O)C(CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O2/c19-15-7-5-12(6-8-15)9-14(18(21)24)11-22-17(23)10-13-3-1-2-4-16(13)20/h1-8,14H,9-11H2,(H2,21,24)(H,22,23)
InChIKeyLOGXDYVMMKIZQU-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide
CID 86880287
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
(2R)-2-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-ylpropanoylamino)propanamide
CID 95590923
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
CID 60601122
2-[[[N-ethyl-N'-[(2-ethylphenyl)methyl]carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111636227
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400
(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
CID 97076543
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide (CID 56819888) is 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide is NC(=O)C(CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide?
The InChIKey is LOGXDYVMMKIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-15-7-5-12(6-8-15)9-14(18(21)24)11-22-17(23)10-13-3-1-2-4-16(13)20/h1-8,14H,9-11H2,(H2,21,24)(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide?
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide has a molecular weight of 332.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide is sourced from PubChem (CID 56819888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).