4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide

C11H16FN3O — CID 63194773

IUPAC4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
SMILESCC(C)(CN)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C11H16FN3O/c1-11(2,6-13)15-9-4-3-7(10(14)16)5-8(9)12/h3-5,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyNQABEKRCOVDNIY-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.07
Rot. Bonds4

About 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide

4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide (PubChem CID 63194773) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
PubChem CID63194773
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
SMILESCC(C)(CN)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C11H16FN3O/c1-11(2,6-13)15-9-4-3-7(10(14)16)5-8(9)12/h3-5,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyNQABEKRCOVDNIY-UHFFFAOYSA-N
XLogP1.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-amino-2-methylpropan-2-yl)amino]-3-nitrobenzamide
CID 55163339
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3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
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4-[3-(ethylamino)propylamino]-3-fluorobenzamide
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4-(4-carbamoyl-2-fluoroanilino)butanoic acid
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4-[(tert-butylamino)methyl]-3-fluorobenzamide
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4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide
CID 80505506
N-tert-butyl-2-(4-carbamothioyl-2-fluoroanilino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide?
The IUPAC name of 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide (CID 63194773) is 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide?
The canonical SMILES for 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide is CC(C)(CN)Nc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide?
The InChIKey is NQABEKRCOVDNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2,6-13)15-9-4-3-7(10(14)16)5-8(9)12/h3-5,15H,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide?
4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide has a molecular weight of 225.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide is sourced from PubChem (CID 63194773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).