5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide

C16H23FN2O2 — CID 103296114

IUPAC5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(C(=O)c1cc(N)cc(C)c1F)C(C)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-10-8-13(18)9-14(15(10)17)16(20)19(6-7-21-3)11(2)12-4-5-12/h8-9,11-12H,4-7,18H2,1-3H3
InChIKeyKOXGUJPQXMVQBX-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.60
Rot. Bonds6

About 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide

5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide (PubChem CID 103296114) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
PubChem CID103296114
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(C(=O)c1cc(N)cc(C)c1F)C(C)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-10-8-13(18)9-14(15(10)17)16(20)19(6-7-21-3)11(2)12-4-5-12/h8-9,11-12H,4-7,18H2,1-3H3
InChIKeyKOXGUJPQXMVQBX-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
CID 61108147
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 62816823
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 60793269
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 61108907
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
2-(3-aminophenoxy)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)acetamide
CID 61109669
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide (CID 103296114) is 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide is COCCN(C(=O)c1cc(N)cc(C)c1F)C(C)C1CC1.
What is the InChIKey of 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is KOXGUJPQXMVQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10-8-13(18)9-14(15(10)17)16(20)19(6-7-21-3)11(2)12-4-5-12/h8-9,11-12H,4-7,18H2,1-3H3.
What are the key properties of 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide?
5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 103296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).