N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide

C25H24Cl2N2O2 — CID 46052531

IUPACN-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
SMILESCCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H24Cl2N2O2/c1-2-14-28-24(30)15-18-8-11-21(12-9-18)29(17-19-6-4-3-5-7-19)25(31)22-13-10-20(26)16-23(22)27/h3-13,16H,2,14-15,17H2,1H3,(H,28,30)
InChIKeyFUTDNZDJGNLMJO-UHFFFAOYSA-N
MW455.39 g/mol
LogP5.91
Rot. Bonds8

About N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide

N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide (PubChem CID 46052531) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
PubChem CID46052531
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC NameN-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
SMILESCCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H24Cl2N2O2/c1-2-14-28-24(30)15-18-8-11-21(12-9-18)29(17-19-6-4-3-5-7-19)25(31)22-13-10-20(26)16-23(22)27/h3-13,16H,2,14-15,17H2,1H3,(H,28,30)
InChIKeyFUTDNZDJGNLMJO-UHFFFAOYSA-N
XLogP5.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 42852869
(2R)-2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543083
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide
CID 19164974
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide (CID 46052531) is N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide is CCCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide?
The InChIKey is FUTDNZDJGNLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-2-14-28-24(30)15-18-8-11-21(12-9-18)29(17-19-6-4-3-5-7-19)25(31)22-13-10-20(26)16-23(22)27/h3-13,16H,2,14-15,17H2,1H3,(H,28,30).
What are the key properties of N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide?
N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide has a molecular weight of 455.39 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 46052531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).