N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide

C14H21ClN2O — CID 112701453

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)C(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9(2)14(4,8-16)17-13(18)11-5-6-12(15)10(3)7-11/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyHCGSVQOUNRXFLP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide (PubChem CID 112701453) 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)-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
PubChem CID112701453
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)C(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9(2)14(4,8-16)17-13(18)11-5-6-12(15)10(3)7-11/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyHCGSVQOUNRXFLP-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)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119608396
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide (CID 112701453) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide is Cc1cc(C(=O)NC(C)(CN)C(C)C)ccc1Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide?
The InChIKey is HCGSVQOUNRXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)14(4,8-16)17-13(18)11-5-6-12(15)10(3)7-11/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-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)-4-chloro-3-methylbenzamide is sourced from PubChem (CID 112701453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).