4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C21H24ClN3O3 — CID 54836415

IUPAC4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCC2CCCO2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-19-6-2-1-4-16(19)12-24-20(26)14-23-17-9-7-15(8-10-17)21(27)25-13-18-5-3-11-28-18/h1-2,4,6-10,18,23H,3,5,11-14H2,(H,24,26)(H,25,27)
InChIKeyJIARGQGIUMGFPL-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.98
Rot. Bonds8

About 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54836415) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54836415
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCC2CCCO2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-19-6-2-1-4-16(19)12-24-20(26)14-23-17-9-7-15(8-10-17)21(27)25-13-18-5-3-11-28-18/h1-2,4,6-10,18,23H,3,5,11-14H2,(H,24,26)(H,25,27)
InChIKeyJIARGQGIUMGFPL-UHFFFAOYSA-N
XLogP2.98
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836534
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54843811
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54836415) is 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CNc1ccc(C(=O)NCC2CCCO2)cc1)NCc1ccccc1Cl.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JIARGQGIUMGFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-19-6-2-1-4-16(19)12-24-20(26)14-23-17-9-7-15(8-10-17)21(27)25-13-18-5-3-11-28-18/h1-2,4,6-10,18,23H,3,5,11-14H2,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 401.89 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54836415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).