4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide

C19H18FN3O3 — CID 2993174

IUPAC4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)C(C)C
InChIInChI=1S/C19H18FN3O3/c1-11(2)18(24)23-16-7-5-13(9-17(16)26-3)22-19(25)14-6-4-12(10-21)8-15(14)20/h4-9,11H,1-3H3,(H,22,25)(H,23,24)
InChIKeyFTUVUWRHAAFCKF-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.55
Rot. Bonds5

About 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide

4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 2993174) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID2993174
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)C(C)C
InChIInChI=1S/C19H18FN3O3/c1-11(2)18(24)23-16-7-5-13(9-17(16)26-3)22-19(25)14-6-4-12(10-21)8-15(14)20/h4-9,11H,1-3H3,(H,22,25)(H,23,24)
InChIKeyFTUVUWRHAAFCKF-UHFFFAOYSA-N
XLogP3.55
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
CID 953068
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2958701
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
CID 1298914
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
5-bromo-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 2196432
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
CID 953070
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide (CID 2993174) is 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide is COc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)C(C)C.
What is the InChIKey of 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is FTUVUWRHAAFCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11(2)18(24)23-16-7-5-13(9-17(16)26-3)22-19(25)14-6-4-12(10-21)8-15(14)20/h4-9,11H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide?
4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 2993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).