4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C24H24ClN3O3 — CID 55585752

IUPAC4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCOc1ncccc1CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O3/c1-2-31-24-19(9-6-14-26-24)16-27-23(30)21(15-17-7-4-3-5-8-17)28-22(29)18-10-12-20(25)13-11-18/h3-14,21H,2,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyNIKKJENSEUSUAG-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.79
Rot. Bonds9

About 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55585752) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55585752
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCOc1ncccc1CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O3/c1-2-31-24-19(9-6-14-26-24)16-27-23(30)21(15-17-7-4-3-5-8-17)28-22(29)18-10-12-20(25)13-11-18/h3-14,21H,2,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyNIKKJENSEUSUAG-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide
CID 46520850
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4883303
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
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-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)-3-fluorophenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 71186140
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-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55585752) is 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is CCOc1ncccc1CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is NIKKJENSEUSUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-2-31-24-19(9-6-14-26-24)16-27-23(30)21(15-17-7-4-3-5-8-17)28-22(29)18-10-12-20(25)13-11-18/h3-14,21H,2,15-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2-ethoxy-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55585752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).