N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

C20H24F2N2O — CID 9134154

IUPACN-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@H](NCC(=O)NCCc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O/c1-14(2)20(16-7-9-17(21)10-8-16)24-13-19(25)23-12-11-15-5-3-4-6-18(15)22/h3-10,14,20,24H,11-13H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyQHQCHBJTYONQQP-FQEVSTJZSA-N
MW346.42 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 9134154) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID9134154
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@H](NCC(=O)NCCc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O/c1-14(2)20(16-7-9-17(21)10-8-16)24-13-19(25)23-12-11-15-5-3-4-6-18(15)22/h3-10,14,20,24H,11-13H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyQHQCHBJTYONQQP-FQEVSTJZSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134156
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8992802
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-phenylethyl)acetamide
CID 18137513
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
N-[2-(2-fluorophenyl)ethyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112993353

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 9134154) is N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is CC(C)[C@H](NCC(=O)NCCc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is QHQCHBJTYONQQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-14(2)20(16-7-9-17(21)10-8-16)24-13-19(25)23-12-11-15-5-3-4-6-18(15)22/h3-10,14,20,24H,11-13H2,1-2H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 346.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 9134154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).