lithium;N-benzyl-3-chloropropanamide;hydride

C10H13ClLiNO — CID 173211913

IUPAClithium;N-benzyl-3-chloropropanamide;hydride
SMILESO=C(CCCl)NCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C10H12ClNO.Li.H/c11-7-6-10(13)12-8-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,12,13);;/q;+1;-1
InChIKeyMDKSBHXAPQDEPK-UHFFFAOYSA-N
MW205.61 g/mol
LogP-0.95
Rot. Bonds4

About lithium;N-benzyl-3-chloropropanamide;hydride

lithium;N-benzyl-3-chloropropanamide;hydride (PubChem CID 173211913) has the molecular formula C10H13ClLiNO and a molecular weight of 205.61 g/mol. Its IUPAC name is lithium;N-benzyl-3-chloropropanamide;hydride.

Molecular Properties

Compound Namelithium;N-benzyl-3-chloropropanamide;hydride
PubChem CID173211913
Molecular FormulaC10H13ClLiNO
Molecular Weight205.61 g/mol
Exact Mass205.08
IUPAC Namelithium;N-benzyl-3-chloropropanamide;hydride
SMILESO=C(CCCl)NCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C10H12ClNO.Li.H/c11-7-6-10(13)12-8-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,12,13);;/q;+1;-1
InChIKeyMDKSBHXAPQDEPK-UHFFFAOYSA-N
XLogP-0.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-3-chloropropanamide;oxalic acid
CID 70111231
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
N'-benzylbutanediamide
CID 4682951
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-4,4-dimethylpentanamide
CID 59836653
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-benzyl-4,4-difluorobutanamide
CID 132965820
N-benzylundecanamide
CID 5078198
N-benzyl-6-oxohexanamide
CID 172715262

Frequently Asked Questions

What is the IUPAC name of lithium;N-benzyl-3-chloropropanamide;hydride?
The IUPAC name of lithium;N-benzyl-3-chloropropanamide;hydride (CID 173211913) is lithium;N-benzyl-3-chloropropanamide;hydride.
What is the SMILES notation for lithium;N-benzyl-3-chloropropanamide;hydride?
The canonical SMILES for lithium;N-benzyl-3-chloropropanamide;hydride is O=C(CCCl)NCc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;N-benzyl-3-chloropropanamide;hydride?
The InChIKey is MDKSBHXAPQDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.Li.H/c11-7-6-10(13)12-8-9-4-2-1-3-5-9;;/h1-5H,6-8H2,(H,12,13);;/q;+1;-1.
What are the key properties of lithium;N-benzyl-3-chloropropanamide;hydride?
lithium;N-benzyl-3-chloropropanamide;hydride has a molecular weight of 205.61 g/mol, XLogP of -0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-benzyl-3-chloropropanamide;hydride is sourced from PubChem (CID 173211913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).