N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide

C14H19ClF2N2O2 — CID 119640655

IUPACN-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide
SMILESCCC(N)(CC)CNC(=O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H19ClF2N2O2/c1-3-14(18,4-2)8-19-12(20)10-7-9(15)5-6-11(10)21-13(16)17/h5-7,13H,3-4,8,18H2,1-2H3,(H,19,20)
InChIKeyLYFOVDLSBDFXJU-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.19
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide

N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide (PubChem CID 119640655) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide
PubChem CID119640655
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC NameN-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide
SMILESCCC(N)(CC)CNC(=O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H19ClF2N2O2/c1-3-14(18,4-2)8-19-12(20)10-7-9(15)5-6-11(10)21-13(16)17/h5-7,13H,3-4,8,18H2,1-2H3,(H,19,20)
InChIKeyLYFOVDLSBDFXJU-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-chloro-2-(difluoromethoxy)benzamide
CID 119626880
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)acetamide
CID 81484294
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
N-(2-amino-2-ethylbutyl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 120875444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide (CID 119640655) is N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide is CCC(N)(CC)CNC(=O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide?
The InChIKey is LYFOVDLSBDFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O2/c1-3-14(18,4-2)8-19-12(20)10-7-9(15)5-6-11(10)21-13(16)17/h5-7,13H,3-4,8,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide?
N-(2-amino-2-ethylbutyl)-5-chloro-2-(difluoromethoxy)benzamide has a molecular weight of 320.77 g/mol, XLogP of 3.19, 7 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)-5-chloro-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 119640655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).