3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide

C12H15FN2O — CID 43437026

IUPAC3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)NCC2CCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c13-10-5-4-9(6-11(10)14)12(16)15-7-8-2-1-3-8/h4-6,8H,1-3,7,14H2,(H,15,16)
InChIKeyMGRLOUYNNMWINA-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide

3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide (PubChem CID 43437026) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
PubChem CID43437026
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)NCC2CCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c13-10-5-4-9(6-11(10)14)12(16)15-7-8-2-1-3-8/h4-6,8H,1-3,7,14H2,(H,15,16)
InChIKeyMGRLOUYNNMWINA-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

3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide (CID 43437026) is 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide is Nc1cc(C(=O)NCC2CCC2)ccc1F.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide?
The InChIKey is MGRLOUYNNMWINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-5-4-9(6-11(10)14)12(16)15-7-8-2-1-3-8/h4-6,8H,1-3,7,14H2,(H,15,16).
What are the key properties of 3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide?
3-amino-N-(cyclobutylmethyl)-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-(cyclobutylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 43437026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).