N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide

C21H23FN2O3 — CID 31443397

IUPACN-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-2-27-18-11-7-15(8-12-18)21(26)23-13-20(25)24(17-9-10-17)14-16-5-3-4-6-19(16)22/h3-8,11-12,17H,2,9-10,13-14H2,1H3,(H,23,26)
InChIKeyIOBTUHOTKTVHRK-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.15
Rot. Bonds8

About N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 31443397) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID31443397
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-2-27-18-11-7-15(8-12-18)21(26)23-13-20(25)24(17-9-10-17)14-16-5-3-4-6-19(16)22/h3-8,11-12,17H,2,9-10,13-14H2,1H3,(H,23,26)
InChIKeyIOBTUHOTKTVHRK-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55943138
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 27756575
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915296
4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545378
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide (CID 31443397) is N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N(Cc2ccccc2F)C2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is IOBTUHOTKTVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-2-27-18-11-7-15(8-12-18)21(26)23-13-20(25)24(17-9-10-17)14-16-5-3-4-6-19(16)22/h3-8,11-12,17H,2,9-10,13-14H2,1H3,(H,23,26).
What are the key properties of N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 370.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 31443397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).