N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide

C14H21ClN2O2 — CID 81484738

IUPACN-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-14(16,5-2)9-17-13(18)11-7-6-10(15)8-12(11)19-3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyFACDHHHHRUTQCH-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.60
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide

N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide (PubChem CID 81484738) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
PubChem CID81484738
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C14H21ClN2O2/c1-4-14(16,5-2)9-17-13(18)11-7-6-10(15)8-12(11)19-3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyFACDHHHHRUTQCH-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
CID 106255094
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide
CID 119640655
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxybenzamide
CID 107867430
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
CID 62522464
4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
CID 52834676
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-2-methoxybenzamide
CID 107867840
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide (CID 81484738) is N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide is CCC(N)(CC)CNC(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide?
The InChIKey is FACDHHHHRUTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-14(16,5-2)9-17-13(18)11-7-6-10(15)8-12(11)19-3/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide?
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 81484738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).