2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide

C18H24Cl2N2O3 — CID 30478968

IUPAC2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H24Cl2N2O3/c1-11(2)8-16(18(24)21-10-13-4-3-7-25-13)22-17(23)14-6-5-12(19)9-15(14)20/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3,(H,21,24)(H,22,23)/t13-,16+/m0/s1
InChIKeyWIHVJQPLGUYYGI-XJKSGUPXSA-N
MW387.31 g/mol
LogP3.43
Rot. Bonds7

About 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide

2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide (PubChem CID 30478968) has the molecular formula C18H24Cl2N2O3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
PubChem CID30478968
Molecular FormulaC18H24Cl2N2O3
Molecular Weight387.31 g/mol
Exact Mass386.12
IUPAC Name2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H24Cl2N2O3/c1-11(2)8-16(18(24)21-10-13-4-3-7-25-13)22-17(23)14-6-5-12(19)9-15(14)20/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3,(H,21,24)(H,22,23)/t13-,16+/m0/s1
InChIKeyWIHVJQPLGUYYGI-XJKSGUPXSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide with MolForge

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Related Compounds

2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide
CID 43043485
2-[(2,4-dichlorobenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1305398
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide (CID 30478968) is 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide is CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide?
The InChIKey is WIHVJQPLGUYYGI-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3/c1-11(2)8-16(18(24)21-10-13-4-3-7-25-13)22-17(23)14-6-5-12(19)9-15(14)20/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3,(H,21,24)(H,22,23)/t13-,16+/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide?
2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide has a molecular weight of 387.31 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide is sourced from PubChem (CID 30478968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).