N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide

C21H24FN3O3 — CID 27821642

IUPACN-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C21H24FN3O3/c1-2-25(15-19(26)24-14-16-8-10-18(22)11-9-16)20(27)12-13-23-21(28)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyRLOZXVFXTPAHEP-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.11
Rot. Bonds9

About N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide

N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide (PubChem CID 27821642) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
PubChem CID27821642
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C21H24FN3O3/c1-2-25(15-19(26)24-14-16-8-10-18(22)11-9-16)20(27)12-13-23-21(28)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyRLOZXVFXTPAHEP-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
3-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 8960643
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18113039
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide (CID 27821642) is N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is RLOZXVFXTPAHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-2-25(15-19(26)24-14-16-8-10-18(22)11-9-16)20(27)12-13-23-21(28)17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide?
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 385.44 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 27821642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).