N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide

C14H17FN2O2 — CID 112685872

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(C)OC
InChIInChI=1S/C14H17FN2O2/c1-4-17(14(18)10(2)19-3)9-12-6-5-11(8-16)7-13(12)15/h5-7,10H,4,9H2,1-3H3
InChIKeyPUDDAJXCUTZHPF-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.08
Rot. Bonds5

About N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide

N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide (PubChem CID 112685872) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
PubChem CID112685872
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(C)OC
InChIInChI=1S/C14H17FN2O2/c1-4-17(14(18)10(2)19-3)9-12-6-5-11(8-16)7-13(12)15/h5-7,10H,4,9H2,1-3H3
InChIKeyPUDDAJXCUTZHPF-UHFFFAOYSA-N
XLogP2.08
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 81083579
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
2-[(4-cyano-2-fluorophenyl)methyl-[2-(2-ethyl-3,5-difluorophenoxy)propanoyl]amino]acetic acid
CID 164905322
1-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53498144
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
methyl 3-[(4-cyano-2-fluorophenyl)methylsulfinyl]butanoate
CID 66115542

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide (CID 112685872) is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide is CCN(Cc1ccc(C#N)cc1F)C(=O)C(C)OC.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide?
The InChIKey is PUDDAJXCUTZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-4-17(14(18)10(2)19-3)9-12-6-5-11(8-16)7-13(12)15/h5-7,10H,4,9H2,1-3H3.
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide?
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide has a molecular weight of 264.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide is sourced from PubChem (CID 112685872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).