3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide

C7H11F2N3O2 — CID 131036642

IUPAC3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)C(F)F)C1
InChIInChI=1S/C7H11F2N3O2/c8-5(9)6(13)11-4-1-2-12(3-4)7(10)14/h4-5H,1-3H2,(H2,10,14)(H,11,13)
InChIKeyCBNMTSDFKCALAW-UHFFFAOYSA-N
MW207.18 g/mol
LogP-0.48
Rot. Bonds2

About 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide

3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide (PubChem CID 131036642) has the molecular formula C7H11F2N3O2 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide
PubChem CID131036642
Molecular FormulaC7H11F2N3O2
Molecular Weight207.18 g/mol
Exact Mass207.08
IUPAC Name3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)C(F)F)C1
InChIInChI=1S/C7H11F2N3O2/c8-5(9)6(13)11-4-1-2-12(3-4)7(10)14/h4-5H,1-3H2,(H2,10,14)(H,11,13)
InChIKeyCBNMTSDFKCALAW-UHFFFAOYSA-N
XLogP-0.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
CID 131187067
3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
CID 130617016
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
4-(methylamino)piperidine-1-carboxamide
CID 43754889
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
CID 97243727
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide (CID 131036642) is 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide is NC(=O)N1CCC(NC(=O)C(F)F)C1.
What is the InChIKey of 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide?
The InChIKey is CBNMTSDFKCALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2/c8-5(9)6(13)11-4-1-2-12(3-4)7(10)14/h4-5H,1-3H2,(H2,10,14)(H,11,13).
What are the key properties of 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide?
3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide has a molecular weight of 207.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131036642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).