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

C14H21FN2O — CID 113265798

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C14H21FN2O/c1-9(2)14(4,8-16)17-13(18)11-5-10(3)6-12(15)7-11/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyPJAOMTIDKJOGEW-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.24
Rot. Bonds4

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

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide (PubChem CID 113265798) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
PubChem CID113265798
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C14H21FN2O/c1-9(2)14(4,8-16)17-13(18)11-5-10(3)6-12(15)7-11/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyPJAOMTIDKJOGEW-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119608396
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide
CID 119605500
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
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)-2,5-dimethylbenzamide
CID 81485961
tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
CID 103774608
N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 113283967
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide (CID 113265798) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)NC(C)(CN)C(C)C)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide?
The InChIKey is PJAOMTIDKJOGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)14(4,8-16)17-13(18)11-5-10(3)6-12(15)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)-3-fluoro-5-methylbenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.24, 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)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 113265798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).