N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide

C24H22FN3O3 — CID 47035362

IUPACN-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22FN3O3/c1-16(27-22(29)15-26-23(30)19-10-5-11-20(25)13-19)18-9-6-12-21(14-18)28-24(31)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyUGFOXQSMJVUWCB-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 47035362) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID47035362
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22FN3O3/c1-16(27-22(29)15-26-23(30)19-10-5-11-20(25)13-19)18-9-6-12-21(14-18)28-24(31)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyUGFOXQSMJVUWCB-UHFFFAOYSA-N
XLogP3.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
CID 78802467
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[3-[1-(2-methylprop-2-enylcarbamothioylamino)ethyl]phenyl]benzamide
CID 43077221
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide (CID 47035362) is N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide is CC(NC(=O)CNC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is UGFOXQSMJVUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-16(27-22(29)15-26-23(30)19-10-5-11-20(25)13-19)18-9-6-12-21(14-18)28-24(31)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 419.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 47035362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).