3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide

C12H15FN2O — CID 103811291

IUPAC3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
SMILESCCC1CC1NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H15FN2O/c1-2-7-6-11(7)15-12(16)8-3-4-9(13)10(14)5-8/h3-5,7,11H,2,6,14H2,1H3,(H,15,16)
InChIKeyKGUANVXMIWCNEO-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide

3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide (PubChem CID 103811291) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
PubChem CID103811291
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
SMILESCCC1CC1NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H15FN2O/c1-2-7-6-11(7)15-12(16)8-3-4-9(13)10(14)5-8/h3-5,7,11H,2,6,14H2,1H3,(H,15,16)
InChIKeyKGUANVXMIWCNEO-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
N-(2-ethylcyclopropyl)benzamide
CID 103669419
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 114117879
3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 114107923
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
CID 115739741
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide (CID 103811291) is 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide is CCC1CC1NC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide?
The InChIKey is KGUANVXMIWCNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-7-6-11(7)15-12(16)8-3-4-9(13)10(14)5-8/h3-5,7,11H,2,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide?
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide has a molecular weight of 222.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide is sourced from PubChem (CID 103811291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).