5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide

C15H20BrFN2O2 — CID 62816823

IUPAC5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1cc(N)c(F)cc1Br)C(C)C1CC1
InChIInChI=1S/C15H20BrFN2O2/c1-9(10-3-4-10)19(5-6-21-2)15(20)11-7-14(18)13(17)8-12(11)16/h7-10H,3-6,18H2,1-2H3
InChIKeyFICUUCPUFDFNDS-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.06
Rot. Bonds6

About 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide

5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 62816823) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID62816823
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1cc(N)c(F)cc1Br)C(C)C1CC1
InChIInChI=1S/C15H20BrFN2O2/c1-9(10-3-4-10)19(5-6-21-2)15(20)11-7-14(18)13(17)8-12(11)16/h7-10H,3-6,18H2,1-2H3
InChIKeyFICUUCPUFDFNDS-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.06
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

4-bromo-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 60793269
5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 103296114
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
CID 61108147
3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 61108907
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide (CID 62816823) is 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1cc(N)c(F)cc1Br)C(C)C1CC1.
What is the InChIKey of 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is FICUUCPUFDFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-9(10-3-4-10)19(5-6-21-2)15(20)11-7-14(18)13(17)8-12(11)16/h7-10H,3-6,18H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide?
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 359.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 62816823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).