N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide

C19H30ClN3O2 — CID 119644009

IUPACN-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
SMILESCCC(N)(CC)CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl
InChIInChI=1S/C19H30ClN3O2/c1-6-19(21,7-2)12-22-17(25)14-10-13(8-9-15(14)20)23-16(24)11-18(3,4)5/h8-10H,6-7,11-12,21H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyVOYLZHVIADNTKG-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.96
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide

N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide (PubChem CID 119644009) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
PubChem CID119644009
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
SMILESCCC(N)(CC)CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl
InChIInChI=1S/C19H30ClN3O2/c1-6-19(21,7-2)12-22-17(25)14-10-13(8-9-15(14)20)23-16(24)11-18(3,4)5/h8-10H,6-7,11-12,21H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyVOYLZHVIADNTKG-UHFFFAOYSA-N
XLogP3.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119525205
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
2-[[[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528522
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
4-[[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120534859
2-[[(5-acetamido-2-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 120533366
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119612583
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide (CID 119644009) is N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide is CCC(N)(CC)CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide?
The InChIKey is VOYLZHVIADNTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2/c1-6-19(21,7-2)12-22-17(25)14-10-13(8-9-15(14)20)23-16(24)11-18(3,4)5/h8-10H,6-7,11-12,21H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide?
N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide has a molecular weight of 367.92 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide is sourced from PubChem (CID 119644009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).