N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

C23H20F2N2O5 — CID 56570661

IUPACN-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C23H20F2N2O5/c1-30-19-8-14(9-20(31-2)21(19)32-12-13-6-4-3-5-7-13)23(29)27-18-10-15(22(26)28)16(24)11-17(18)25/h3-11H,12H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyKCAMATWUVFHKHL-UHFFFAOYSA-N
MW442.42 g/mol
LogP3.91
Rot. Bonds8

About N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 56570661) has the molecular formula C23H20F2N2O5 and a molecular weight of 442.42 g/mol. Its IUPAC name is N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID56570661
Molecular FormulaC23H20F2N2O5
Molecular Weight442.42 g/mol
Exact Mass442.13
IUPAC NameN-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C23H20F2N2O5/c1-30-19-8-14(9-20(31-2)21(19)32-12-13-6-4-3-5-7-13)23(29)27-18-10-15(22(26)28)16(24)11-17(18)25/h3-11H,12H2,1-2H3,(H2,26,28)(H,27,29)
InChIKeyKCAMATWUVFHKHL-UHFFFAOYSA-N
XLogP3.91
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 56570661) is N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is KCAMATWUVFHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O5/c1-30-19-8-14(9-20(31-2)21(19)32-12-13-6-4-3-5-7-13)23(29)27-18-10-15(22(26)28)16(24)11-17(18)25/h3-11H,12H2,1-2H3,(H2,26,28)(H,27,29).
What are the key properties of N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 442.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2,4-difluorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 56570661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).