2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

C15H23ClN2O2 — CID 61108278

IUPAC2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H23ClN2O2/c1-4-12(5-2)18(8-9-20-3)15(19)13-10-11(16)6-7-14(13)17/h6-7,10,12H,4-5,8-9,17H2,1-3H3
InChIKeyOQICRCWJKRFFEW-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.20
Rot. Bonds7

About 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (PubChem CID 61108278) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
PubChem CID61108278
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H23ClN2O2/c1-4-12(5-2)18(8-9-20-3)15(19)13-10-11(16)6-7-14(13)17/h6-7,10,12H,4-5,8-9,17H2,1-3H3
InChIKeyOQICRCWJKRFFEW-UHFFFAOYSA-N
XLogP3.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.20
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-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
2-amino-5-chloro-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61110797
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
5-chloro-4-iodo-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55795933
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylbenzamide
CID 62508733
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (CID 61108278) is 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The InChIKey is OQICRCWJKRFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-12(5-2)18(8-9-20-3)15(19)13-10-11(16)6-7-14(13)17/h6-7,10,12H,4-5,8-9,17H2,1-3H3.
What are the key properties of 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide has a molecular weight of 298.81 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 61108278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).