N-(2-aminocyclopropyl)-3,4-difluorobenzamide

C10H10F2N2O — CID 43593845

IUPACN-(2-aminocyclopropyl)-3,4-difluorobenzamide
SMILESNC1CC1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O/c11-6-2-1-5(3-7(6)12)10(15)14-9-4-8(9)13/h1-3,8-9H,4,13H2,(H,14,15)
InChIKeyIKZKKMJZBCYDFP-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.79
Rot. Bonds2

About N-(2-aminocyclopropyl)-3,4-difluorobenzamide

N-(2-aminocyclopropyl)-3,4-difluorobenzamide (PubChem CID 43593845) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3,4-difluorobenzamide
PubChem CID43593845
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-(2-aminocyclopropyl)-3,4-difluorobenzamide
SMILESNC1CC1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O/c11-6-2-1-5(3-7(6)12)10(15)14-9-4-8(9)13/h1-3,8-9H,4,13H2,(H,14,15)
InChIKeyIKZKKMJZBCYDFP-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 63251637
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
CID 43593768
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-3,4-difluorobenzamide
CID 91910989
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3,4-difluorobenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-3,4-difluorobenzamide (CID 43593845) is N-(2-aminocyclopropyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3,4-difluorobenzamide is NC1CC1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminocyclopropyl)-3,4-difluorobenzamide?
The InChIKey is IKZKKMJZBCYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-6-2-1-5(3-7(6)12)10(15)14-9-4-8(9)13/h1-3,8-9H,4,13H2,(H,14,15).
What are the key properties of N-(2-aminocyclopropyl)-3,4-difluorobenzamide?
N-(2-aminocyclopropyl)-3,4-difluorobenzamide has a molecular weight of 212.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3,4-difluorobenzamide is sourced from PubChem (CID 43593845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).