5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide

C13H18F2N2O — CID 61093096

IUPAC5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-7(2)8(3)17(4)13(18)9-5-12(16)11(15)6-10(9)14/h5-8H,16H2,1-4H3
InChIKeyCKAKLCIIOWOGKE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.66
Rot. Bonds3

About 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide

5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 61093096) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID61093096
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-7(2)8(3)17(4)13(18)9-5-12(16)11(15)6-10(9)14/h5-8H,16H2,1-4H3
InChIKeyCKAKLCIIOWOGKE-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 458760
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CID 10104045
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CID 268126
3-Amino-N-methylbenzamide
CID 676526
(1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895873
N-benzyl-3-(dimethylamino)benzamide
CID 2567270
N-[3-(benzylmethylamino)propyl]-3-dimethylaminobenzamide
CID 31588412
N-tert-butyl-1-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 72703207
N-cyclopentyl-1-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 72703428
3-Amino-N-ethylbenzamide
CID 3737691
3-Amino-n-cyclopropylbenzamide
CID 7064053
4-Amino-N,N-dipropylbenzamide
CID 16641287

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 61093096) is 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)N(C)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is CKAKLCIIOWOGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-7(2)8(3)17(4)13(18)9-5-12(16)11(15)6-10(9)14/h5-8H,16H2,1-4H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 256.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 61093096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).