N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide

C11H13F2N3O2 — CID 55037642

IUPACN-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(F)cc1F)C(=O)NC(N)=O
InChIInChI=1S/C11H13F2N3O2/c1-6(10(17)16-11(14)18)15-5-7-2-3-8(12)4-9(7)13/h2-4,6,15H,5H2,1H3,(H3,14,16,17,18)
InChIKeyMEAMKAPFFVWYCR-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.64
Rot. Bonds4

About N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide

N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide (PubChem CID 55037642) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
PubChem CID55037642
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC NameN-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(F)cc1F)C(=O)NC(N)=O
InChIInChI=1S/C11H13F2N3O2/c1-6(10(17)16-11(14)18)15-5-7-2-3-8(12)4-9(7)13/h2-4,6,15H,5H2,1H3,(H3,14,16,17,18)
InChIKeyMEAMKAPFFVWYCR-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
methyl (2S)-2-[(4-chloro-2-fluorophenyl)methylamino]propanoate
CID 104979957
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
CID 62228150
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide (CID 55037642) is N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide is CC(NCc1ccc(F)cc1F)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide?
The InChIKey is MEAMKAPFFVWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-6(10(17)16-11(14)18)15-5-7-2-3-8(12)4-9(7)13/h2-4,6,15H,5H2,1H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide?
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide has a molecular weight of 257.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide is sourced from PubChem (CID 55037642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).