N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide

C12H24ClNO — CID 114876936

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(CCl)CC(C)C
InChIInChI=1S/C12H24ClNO/c1-5-10(4)7-12(15)14-11(8-13)6-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyJJFIHFGPOPCUNN-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.19
Rot. Bonds7

About N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide

N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide (PubChem CID 114876936) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
PubChem CID114876936
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(CCl)CC(C)C
InChIInChI=1S/C12H24ClNO/c1-5-10(4)7-12(15)14-11(8-13)6-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyJJFIHFGPOPCUNN-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.19
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

N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
CID 114877077
methyl 4-methyl-2-(3-methylpentanoylamino)pentanoate
CID 114875725
N-(1-chlorobutan-2-yl)-4-methylpentanamide
CID 114294455
N-hex-5-yn-3-yl-3-methylpentanamide
CID 114876499
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
N-(1-bromopropan-2-yl)-3-methylpentanamide
CID 114876990
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane
CID 143873570
N-(4-hydroxy-3-methylbutan-2-yl)-3-methylpentanamide
CID 114875462
(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid
CID 104982198

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide (CID 114876936) is N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(CCl)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide?
The InChIKey is JJFIHFGPOPCUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-5-10(4)7-12(15)14-11(8-13)6-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide?
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114876936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).