4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide

C26H27ClN2O5 — CID 46520850

IUPAC4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O5/c1-32-22-15-24(34-3)23(33-2)14-19(22)16-28-26(31)21(13-17-7-5-4-6-8-17)29-25(30)18-9-11-20(27)12-10-18/h4-12,14-15,21H,13,16H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyUACYZKHNCYRRGX-UHFFFAOYSA-N
MW482.96 g/mol
LogP4.02
Rot. Bonds10

About 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide

4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide (PubChem CID 46520850) has the molecular formula C26H27ClN2O5 and a molecular weight of 482.96 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide
PubChem CID46520850
Molecular FormulaC26H27ClN2O5
Molecular Weight482.96 g/mol
Exact Mass482.16
IUPAC Name4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O5/c1-32-22-15-24(34-3)23(33-2)14-19(22)16-28-26(31)21(13-17-7-5-4-6-8-17)29-25(30)18-9-11-20(27)12-10-18/h4-12,14-15,21H,13,16H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyUACYZKHNCYRRGX-UHFFFAOYSA-N
XLogP4.02
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.96
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4883303
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55585752
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
4-chloro-N-[1-[3-(difluoromethoxy)-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55533344
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[1-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46656128
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
N-[2-[[2-(carbamoylamino)-3-phenylpropanoyl]amino]ethyl]-4-chlorobenzamide
CID 86921350

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide (CID 46520850) is 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide is COc1cc(OC)c(OC)cc1CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide?
The InChIKey is UACYZKHNCYRRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O5/c1-32-22-15-24(34-3)23(33-2)14-19(22)16-28-26(31)21(13-17-7-5-4-6-8-17)29-25(30)18-9-11-20(27)12-10-18/h4-12,14-15,21H,13,16H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide?
4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide has a molecular weight of 482.96 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 46520850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).