3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide

C14H19FN2O2 — CID 175047461

IUPAC3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-4-8-16-13(19)14(2,3)17-12(18)10-6-5-7-11(15)9-10/h5-7,9H,4,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZFEXFPHCYOBMBK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.86
Rot. Bonds5

About 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide

3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 175047461) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID175047461
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-4-8-16-13(19)14(2,3)17-12(18)10-6-5-7-11(15)9-10/h5-7,9H,4,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZFEXFPHCYOBMBK-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
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3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N'-butyl-3-fluorobenzohydrazide
CID 118418454
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 175047461) is 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)(C)NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is ZFEXFPHCYOBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-8-16-13(19)14(2,3)17-12(18)10-6-5-7-11(15)9-10/h5-7,9H,4,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide?
3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methyl-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 175047461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).