4-[(2,2-difluoroacetyl)amino]butanamide

C6H10F2N2O2 — CID 103515414

IUPAC4-[(2,2-difluoroacetyl)amino]butanamide
SMILESNC(=O)CCCNC(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2/c7-5(8)6(12)10-3-1-2-4(9)11/h5H,1-3H2,(H2,9,11)(H,10,12)
InChIKeySSTSRYYKPADHPI-UHFFFAOYSA-N
MW180.15 g/mol
LogP-0.37
Rot. Bonds5

About 4-[(2,2-difluoroacetyl)amino]butanamide

4-[(2,2-difluoroacetyl)amino]butanamide (PubChem CID 103515414) has the molecular formula C6H10F2N2O2 and a molecular weight of 180.15 g/mol. Its IUPAC name is 4-[(2,2-difluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name4-[(2,2-difluoroacetyl)amino]butanamide
PubChem CID103515414
Molecular FormulaC6H10F2N2O2
Molecular Weight180.15 g/mol
Exact Mass180.07
IUPAC Name4-[(2,2-difluoroacetyl)amino]butanamide
SMILESNC(=O)CCCNC(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2/c7-5(8)6(12)10-3-1-2-4(9)11/h5H,1-3H2,(H2,9,11)(H,10,12)
InChIKeySSTSRYYKPADHPI-UHFFFAOYSA-N
XLogP-0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-3-methyl-2-sulfanylbutanamide
CID 107023481
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
4-[(2-acetamido-3-sulfanylpropanoyl)amino]butanamide
CID 107769156
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
CID 106240183
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroacetyl)amino]butanamide?
The IUPAC name of 4-[(2,2-difluoroacetyl)amino]butanamide (CID 103515414) is 4-[(2,2-difluoroacetyl)amino]butanamide.
What is the SMILES notation for 4-[(2,2-difluoroacetyl)amino]butanamide?
The canonical SMILES for 4-[(2,2-difluoroacetyl)amino]butanamide is NC(=O)CCCNC(=O)C(F)F.
What is the InChIKey of 4-[(2,2-difluoroacetyl)amino]butanamide?
The InChIKey is SSTSRYYKPADHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2/c7-5(8)6(12)10-3-1-2-4(9)11/h5H,1-3H2,(H2,9,11)(H,10,12).
What are the key properties of 4-[(2,2-difluoroacetyl)amino]butanamide?
4-[(2,2-difluoroacetyl)amino]butanamide has a molecular weight of 180.15 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoroacetyl)amino]butanamide is sourced from PubChem (CID 103515414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).