N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide

C13H17FN2O2 — CID 81284754

IUPACN-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(N)C2CC2)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-18-12-6-9(4-5-10(12)14)13(17)16-7-11(15)8-2-3-8/h4-6,8,11H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyGXWKQMQIVAGDET-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.30
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide

N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81284754) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
PubChem CID81284754
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(N)C2CC2)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-18-12-6-9(4-5-10(12)14)13(17)16-7-11(15)8-2-3-8/h4-6,8,11H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyGXWKQMQIVAGDET-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 124550256
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide (CID 81284754) is N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCC(N)C2CC2)ccc1F.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is GXWKQMQIVAGDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-12-6-9(4-5-10(12)14)13(17)16-7-11(15)8-2-3-8/h4-6,8,11H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide?
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81284754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).