4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide

C19H22FN3O2 — CID 18168796

IUPAC4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)c1cccnc1
InChIInChI=1S/C19H22FN3O2/c1-12(2)17(23-18(24)14-6-8-16(20)9-7-14)19(25)22-13(3)15-5-4-10-21-11-15/h4-13,17H,1-3H3,(H,22,25)(H,23,24)
InChIKeyVDLRWKMBJAMHMB-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.85
Rot. Bonds6

About 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide

4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide (PubChem CID 18168796) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
PubChem CID18168796
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)c1cccnc1
InChIInChI=1S/C19H22FN3O2/c1-12(2)17(23-18(24)14-6-8-16(20)9-7-14)19(25)22-13(3)15-5-4-10-21-11-15/h4-13,17H,1-3H3,(H,22,25)(H,23,24)
InChIKeyVDLRWKMBJAMHMB-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]adamantane-1-carboxamide
CID 18168798
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 18168761
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide (CID 18168796) is 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide is CC(NC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)c1cccnc1.
What is the InChIKey of 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide?
The InChIKey is VDLRWKMBJAMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(2)17(23-18(24)14-6-8-16(20)9-7-14)19(25)22-13(3)15-5-4-10-21-11-15/h4-13,17H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide?
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 18168796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).