N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide

C20H22FNO4 — CID 33081027

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2ccc(OC)c(F)c2)C2CC2)c1
InChIInChI=1S/C20H22FNO4/c1-24-16-7-9-18(25-2)14(10-16)12-22(15-5-6-15)20(23)13-4-8-19(26-3)17(21)11-13/h4,7-11,15H,5-6,12H2,1-3H3
InChIKeyZGRFJJPPGOFRKE-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.66
Rot. Bonds7

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 33081027) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
PubChem CID33081027
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2ccc(OC)c(F)c2)C2CC2)c1
InChIInChI=1S/C20H22FNO4/c1-24-16-7-9-18(25-2)14(10-16)12-22(15-5-6-15)20(23)13-4-8-19(26-3)17(21)11-13/h4,7-11,15H,5-6,12H2,1-3H3
InChIKeyZGRFJJPPGOFRKE-UHFFFAOYSA-N
XLogP3.66
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33081136
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 32588865
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide (CID 33081027) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(OC)c(CN(C(=O)c2ccc(OC)c(F)c2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is ZGRFJJPPGOFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-24-16-7-9-18(25-2)14(10-16)12-22(15-5-6-15)20(23)13-4-8-19(26-3)17(21)11-13/h4,7-11,15H,5-6,12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 359.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 33081027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).