N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide

C14H21ClN2O — CID 82882950

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(2)14(4,8-16)17-13(18)12-7-11(15)6-5-10(12)3/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyYYCDTQAWKKNYIM-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide (PubChem CID 82882950) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
PubChem CID82882950
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(2)14(4,8-16)17-13(18)12-7-11(15)6-5-10(12)3/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyYYCDTQAWKKNYIM-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
CID 81487258
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119605461
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119608616
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide (CID 82882950) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide?
The InChIKey is YYCDTQAWKKNYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)14(4,8-16)17-13(18)12-7-11(15)6-5-10(12)3/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide has a molecular weight of 268.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82882950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).