N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide

C11H13FN2O — CID 63214074

IUPACN-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CC2N)ccc1F
InChIInChI=1S/C11H13FN2O/c1-6-4-7(2-3-8(6)12)11(15)14-10-5-9(10)13/h2-4,9-10H,5,13H2,1H3,(H,14,15)
InChIKeyOPKJCNGDUFTQBQ-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.96
Rot. Bonds2

About N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide

N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide (PubChem CID 63214074) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
PubChem CID63214074
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CC2N)ccc1F
InChIInChI=1S/C11H13FN2O/c1-6-4-7(2-3-8(6)12)11(15)14-10-5-9(10)13/h2-4,9-10H,5,13H2,1H3,(H,14,15)
InChIKeyOPKJCNGDUFTQBQ-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide (CID 63214074) is N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC2CC2N)ccc1F.
What is the InChIKey of N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide?
The InChIKey is OPKJCNGDUFTQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-6-4-7(2-3-8(6)12)11(15)14-10-5-9(10)13/h2-4,9-10H,5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide?
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide has a molecular weight of 208.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63214074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).