2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide

C25H29Cl2N3O3 — CID 43043485

IUPAC2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H29Cl2N3O3/c1-16(2)13-22(29-23(31)20-10-9-19(26)14-21(20)27)24(32)28-15-17-5-7-18(8-6-17)25(33)30-11-3-4-12-30/h5-10,14,16,22H,3-4,11-13,15H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyLUGXMFVRLDUAPK-UHFFFAOYSA-N
MW490.43 g/mol
LogP4.69
Rot. Bonds8

About 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide

2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide (PubChem CID 43043485) has the molecular formula C25H29Cl2N3O3 and a molecular weight of 490.43 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide
PubChem CID43043485
Molecular FormulaC25H29Cl2N3O3
Molecular Weight490.43 g/mol
Exact Mass489.16
IUPAC Name2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C25H29Cl2N3O3/c1-16(2)13-22(29-23(31)20-10-9-19(26)14-21(20)27)24(32)28-15-17-5-7-18(8-6-17)25(33)30-11-3-4-12-30/h5-10,14,16,22H,3-4,11-13,15H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyLUGXMFVRLDUAPK-UHFFFAOYSA-N
XLogP4.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[4-methyl-1-oxo-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylamino]pentan-2-yl]benzamide
CID 55535870
2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
CID 30478968
2,4-dichloro-N-[4-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]pentan-2-yl]benzamide
CID 43006168
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide (CID 43043485) is 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide?
The InChIKey is LUGXMFVRLDUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O3/c1-16(2)13-22(29-23(31)20-10-9-19(26)14-21(20)27)24(32)28-15-17-5-7-18(8-6-17)25(33)30-11-3-4-12-30/h5-10,14,16,22H,3-4,11-13,15H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide?
2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide has a molecular weight of 490.43 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide is sourced from PubChem (CID 43043485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).