N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

C22H18Cl2N2O2 — CID 59689121

IUPACN-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c23-17-11-12-18(19(24)13-17)21(15-7-3-1-4-8-15)26-20(27)14-25-22(28)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyKXXJLCZSCKQVBO-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.63
Rot. Bonds6

About N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 59689121) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID59689121
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC NameN-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c23-17-11-12-18(19(24)13-17)21(15-7-3-1-4-8-15)26-20(27)14-25-22(28)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
InChIKeyKXXJLCZSCKQVBO-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 59689121) is N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is KXXJLCZSCKQVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-17-11-12-18(19(24)13-17)21(15-7-3-1-4-8-15)26-20(27)14-25-22(28)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 413.30 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 59689121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).