N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

C15H20FN3O — CID 60945397

IUPACN-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1cc(C#N)ccc1F
InChIInChI=1S/C15H20FN3O/c1-11(2)18-7-6-15(20)19(3)10-13-8-12(9-17)4-5-14(13)16/h4-5,8,11,18H,6-7,10H2,1-3H3
InChIKeyCQGQEANUPLLVOD-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.04
Rot. Bonds6

About N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (PubChem CID 60945397) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
PubChem CID60945397
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1cc(C#N)ccc1F
InChIInChI=1S/C15H20FN3O/c1-11(2)18-7-6-15(20)19(3)10-13-8-12(9-17)4-5-14(13)16/h4-5,8,11,18H,6-7,10H2,1-3H3
InChIKeyCQGQEANUPLLVOD-UHFFFAOYSA-N
XLogP2.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (CID 60945397) is N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)Cc1cc(C#N)ccc1F.
What is the InChIKey of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The InChIKey is CQGQEANUPLLVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(2)18-7-6-15(20)19(3)10-13-8-12(9-17)4-5-14(13)16/h4-5,8,11,18H,6-7,10H2,1-3H3.
What are the key properties of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide has a molecular weight of 277.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60945397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).