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

C24H22ClN3O3 — CID 46456768

IUPACN-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22ClN3O3/c1-16(27-22(29)15-26-24(31)20-12-5-6-13-21(20)25)18-10-7-11-19(14-18)28-23(30)17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyZUENQHAUQUXMLO-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.20
Rot. Bonds7

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

N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide (PubChem CID 46456768) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
PubChem CID46456768
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22ClN3O3/c1-16(27-22(29)15-26-24(31)20-12-5-6-13-21(20)25)18-10-7-11-19(14-18)28-23(30)17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyZUENQHAUQUXMLO-UHFFFAOYSA-N
XLogP4.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
N-[3-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 42960826
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195641
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
N-[3-[1-(2-methylprop-2-enylcarbamothioylamino)ethyl]phenyl]benzamide
CID 43077221
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide (CID 46456768) is N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide is CC(NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is ZUENQHAUQUXMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16(27-22(29)15-26-24(31)20-12-5-6-13-21(20)25)18-10-7-11-19(14-18)28-23(30)17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide?
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 435.91 g/mol, XLogP of 4.20, 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]-2-chlorobenzamide is sourced from PubChem (CID 46456768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).