N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide

C20H21F2NO2 — CID 110477011

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2(c3ccc(F)cc3F)CC2C)cc1
InChIInChI=1S/C20H21F2NO2/c1-3-25-16-7-4-14(5-8-16)19(24)23-12-20(11-13(20)2)17-9-6-15(21)10-18(17)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)
InChIKeyDVPKZMXFJZJAJZ-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.07
Rot. Bonds6

About N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide (PubChem CID 110477011) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide
PubChem CID110477011
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2(c3ccc(F)cc3F)CC2C)cc1
InChIInChI=1S/C20H21F2NO2/c1-3-25-16-7-4-14(5-8-16)19(24)23-12-20(11-13(20)2)17-9-6-15(21)10-18(17)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)
InChIKeyDVPKZMXFJZJAJZ-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide
CID 112534919
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide
CID 112534892
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114751099
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
3-ethoxy-1-[(4-ethoxybenzoyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699262

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide (CID 110477011) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2(c3ccc(F)cc3F)CC2C)cc1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide?
The InChIKey is DVPKZMXFJZJAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-3-25-16-7-4-14(5-8-16)19(24)23-12-20(11-13(20)2)17-9-6-15(21)10-18(17)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide has a molecular weight of 345.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide is sourced from PubChem (CID 110477011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).