5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide

C19H21FN2O3 — CID 33037269

IUPAC5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C19H21FN2O3/c1-12(2)10-18(23)21-14-5-7-15(8-6-14)22-19(24)16-11-13(20)4-9-17(16)25-3/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYOFKMDPKVMRCRH-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.07
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide

5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide (PubChem CID 33037269) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
PubChem CID33037269
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C19H21FN2O3/c1-12(2)10-18(23)21-14-5-7-15(8-6-14)22-19(24)16-11-13(20)4-9-17(16)25-3/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYOFKMDPKVMRCRH-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-3-methylbutanamide
CID 94278155
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 31120180
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
CID 131905829
ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
CID 31146550
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]-3-methylbutanamide
CID 112984074
5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 157454354
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide (CID 33037269) is 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide is COc1ccc(F)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
The InChIKey is YOFKMDPKVMRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12(2)10-18(23)21-14-5-7-15(8-6-14)22-19(24)16-11-13(20)4-9-17(16)25-3/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide?
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide is sourced from PubChem (CID 33037269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).