N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide

C15H22ClN3O2 — CID 119630765

IUPACN-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C15H22ClN3O2/c1-9(2)13(20)19-10-5-6-12(16)11(7-10)14(21)18-8-15(3,4)17/h5-7,9H,8,17H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQDEFVAUPRLVWAV-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.40
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide

N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide (PubChem CID 119630765) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
PubChem CID119630765
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C15H22ClN3O2/c1-9(2)13(20)19-10-5-6-12(16)11(7-10)14(21)18-8-15(3,4)17/h5-7,9H,8,17H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQDEFVAUPRLVWAV-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.40
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
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
CID 111483491
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119572129
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 119644009
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
5-[[[2-chloro-5-(2-methylpropanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226496

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide (CID 119630765) is N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)N)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
The InChIKey is QDEFVAUPRLVWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9(2)13(20)19-10-5-6-12(16)11(7-10)14(21)18-8-15(3,4)17/h5-7,9H,8,17H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide has a molecular weight of 311.81 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 119630765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).