N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

C21H25FN2O3 — CID 24548300

IUPACN-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H25FN2O3/c1-4-24(14-16-6-5-7-18(22)12-16)20(25)13-23-21(26)17-8-10-19(11-9-17)27-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyWYCVPEDOVFIFCL-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.39
Rot. Bonds8

About N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide (PubChem CID 24548300) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
PubChem CID24548300
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H25FN2O3/c1-4-24(14-16-6-5-7-18(22)12-16)20(25)13-23-21(26)17-8-10-19(11-9-17)27-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyWYCVPEDOVFIFCL-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-4-propan-2-yloxybenzamide
CID 40643532
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 112801097
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110881844
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide (CID 24548300) is N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide is CCN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The InChIKey is WYCVPEDOVFIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-4-24(14-16-6-5-7-18(22)12-16)20(25)13-23-21(26)17-8-10-19(11-9-17)27-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide has a molecular weight of 372.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 24548300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).