N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide

C14H20ClNO3 — CID 114151199

IUPACN-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
SMILESCOCC(CCCl)NC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-10-4-5-11(8-13(10)19-3)14(17)16-12(6-7-15)9-18-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyJIJADPQMRYGDBG-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.38
Rot. Bonds7

About N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide

N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide (PubChem CID 114151199) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
PubChem CID114151199
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
SMILESCOCC(CCCl)NC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-10-4-5-11(8-13(10)19-3)14(17)16-12(6-7-15)9-18-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyJIJADPQMRYGDBG-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
4-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-fluorobenzamide
CID 106155489
4-methoxy-N-(1-methoxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 66772927
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
N-(4-bromo-1-methoxybutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 106155995
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 106183180
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide (CID 114151199) is N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide is COCC(CCCl)NC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide?
The InChIKey is JIJADPQMRYGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10-4-5-11(8-13(10)19-3)14(17)16-12(6-7-15)9-18-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide?
N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 114151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).