3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide

C17H19FN2O — CID 112980338

IUPAC3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-12(2)11-19-15-6-8-16(9-7-15)20-17(21)13-4-3-5-14(18)10-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyCWVSJOMDUGVMTD-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.15
Rot. Bonds5

About 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide

3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide (PubChem CID 112980338) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
PubChem CID112980338
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-12(2)11-19-15-6-8-16(9-7-15)20-17(21)13-4-3-5-14(18)10-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyCWVSJOMDUGVMTD-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507646
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide (CID 112980338) is 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide is CC(C)CNc1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
The InChIKey is CWVSJOMDUGVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(2)11-19-15-6-8-16(9-7-15)20-17(21)13-4-3-5-14(18)10-13/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide?
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide is sourced from PubChem (CID 112980338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).