N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide

C8H12F2N2O2 — CID 103515809

IUPACN-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
SMILESO=C(CCNC(=O)C(F)F)NC1CC1
InChIInChI=1S/C8H12F2N2O2/c9-7(10)8(14)11-4-3-6(13)12-5-1-2-5/h5,7H,1-4H2,(H,11,14)(H,12,13)
InChIKeyIUAQRGRQQYMUFC-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.04
Rot. Bonds5

About N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide

N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide (PubChem CID 103515809) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
PubChem CID103515809
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC NameN-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
SMILESO=C(CCNC(=O)C(F)F)NC1CC1
InChIInChI=1S/C8H12F2N2O2/c9-7(10)8(14)11-4-3-6(13)12-5-1-2-5/h5,7H,1-4H2,(H,11,14)(H,12,13)
InChIKeyIUAQRGRQQYMUFC-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide (CID 103515809) is N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide is O=C(CCNC(=O)C(F)F)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide?
The InChIKey is IUAQRGRQQYMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-7(10)8(14)11-4-3-6(13)12-5-1-2-5/h5,7H,1-4H2,(H,11,14)(H,12,13).
What are the key properties of N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide?
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide has a molecular weight of 206.19 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide is sourced from PubChem (CID 103515809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).