N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide

C19H20F2N2O4 — CID 131896646

IUPACN-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)c(OC)c2F)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-4-5-16(24)23-14-9-6-11(10-15(14)26-2)22-19(25)12-7-8-13(20)18(27-3)17(12)21/h6-10H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRDKPBRMFXJBLNV-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.97
Rot. Bonds7

About N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide

N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide (PubChem CID 131896646) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide
PubChem CID131896646
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)c(OC)c2F)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-4-5-16(24)23-14-9-6-11(10-15(14)26-2)22-19(25)12-7-8-13(20)18(27-3)17(12)21/h6-10H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRDKPBRMFXJBLNV-UHFFFAOYSA-N
XLogP3.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
2,3,5,6-tetrafluoro-4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 17115591
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
CID 131905829

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide?
The IUPAC name of N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide (CID 131896646) is N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide.
What is the SMILES notation for N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide?
The canonical SMILES for N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide is CCCC(=O)Nc1ccc(NC(=O)c2ccc(F)c(OC)c2F)cc1OC.
What is the InChIKey of N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide?
The InChIKey is RDKPBRMFXJBLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-4-5-16(24)23-14-9-6-11(10-15(14)26-2)22-19(25)12-7-8-13(20)18(27-3)17(12)21/h6-10H,4-5H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide?
N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide is sourced from PubChem (CID 131896646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).