N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

C14H20ClNO3 — CID 106168602

IUPACN-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H20ClNO3/c1-4-14(2,7-8-15)16-13(18)11-9-10(19-3)5-6-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyQDJVJLFWLNIGAL-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.93
Rot. Bonds6

About N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 106168602) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID106168602
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H20ClNO3/c1-4-14(2,7-8-15)16-13(18)11-9-10(19-3)5-6-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyQDJVJLFWLNIGAL-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 106168512
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
N-[3-(bromomethyl)pentan-3-yl]-2-hydroxy-5-methoxybenzamide
CID 114315265
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
CID 107845895
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (CID 106168602) is N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is CCC(C)(CCCl)NC(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is QDJVJLFWLNIGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-14(2,7-8-15)16-13(18)11-9-10(19-3)5-6-12(11)17/h5-6,9,17H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 106168602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).