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

C19H20FN3O — CID 9133316

IUPACN-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@H](NCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c1-13(2)19(14-7-9-16(20)10-8-14)22-12-18(24)23-17-6-4-3-5-15(17)11-21/h3-10,13,19,22H,12H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyMITAJPTXBJPMMY-IBGZPJMESA-N
MW325.39 g/mol
LogP3.62
Rot. Bonds6

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

N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 9133316) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID9133316
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@H](NCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c1-13(2)19(14-7-9-16(20)10-8-14)22-12-18(24)23-17-6-4-3-5-15(17)11-21/h3-10,13,19,22H,12H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyMITAJPTXBJPMMY-IBGZPJMESA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
N-benzyl-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133243

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 9133316) is N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is CC(C)[C@H](NCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is MITAJPTXBJPMMY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20FN3O/c1-13(2)19(14-7-9-16(20)10-8-14)22-12-18(24)23-17-6-4-3-5-15(17)11-21/h3-10,13,19,22H,12H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 9133316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).