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

C15H22ClNO2 — CID 86982098

IUPAC2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-4-12(5-2)17(10-11-19-3)15(18)13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyWWBAMRYHPNCTSK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.62
Rot. Bonds7

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

2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (PubChem CID 86982098) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
PubChem CID86982098
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-4-12(5-2)17(10-11-19-3)15(18)13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyWWBAMRYHPNCTSK-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
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-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
N-(2-methoxyethyl)-N-pentan-3-ylfuran-2-carboxamide
CID 60791660
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (CID 86982098) is 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The InChIKey is WWBAMRYHPNCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-12(5-2)17(10-11-19-3)15(18)13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 86982098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).