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

C14H21FN2O — CID 114208039

IUPACN-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-9-5-6-10(11(15)7-9)13(18)17-12(8-16)14(2,3)4/h5-7,12H,8,16H2,1-4H3,(H,17,18)
InChIKeyXSHZWXGXBRRLQU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.24
Rot. Bonds3

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

N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide (PubChem CID 114208039) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
PubChem CID114208039
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-9-5-6-10(11(15)7-9)13(18)17-12(8-16)14(2,3)4/h5-7,12H,8,16H2,1-4H3,(H,17,18)
InChIKeyXSHZWXGXBRRLQU-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(2R)-4-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821559
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-2-methylbenzamide
CID 114208101
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
CID 102882007
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
CID 115409670
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide (CID 114208039) is N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC(CN)C(C)(C)C)c(F)c1.
What is the InChIKey of N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide?
The InChIKey is XSHZWXGXBRRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-5-6-10(11(15)7-9)13(18)17-12(8-16)14(2,3)4/h5-7,12H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide?
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 114208039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).