N-(5-chloro-2-methylphenyl)butanamide

C11H14ClNO — CID 835301

IUPACN-(5-chloro-2-methylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO/c1-3-4-11(14)13-10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyODNNNBHENXCYOD-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.39
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)butanamide

N-(5-chloro-2-methylphenyl)butanamide (PubChem CID 835301) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)butanamide
PubChem CID835301
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(5-chloro-2-methylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H14ClNO/c1-3-4-11(14)13-10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyODNNNBHENXCYOD-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)butanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)butanamide (CID 835301) is N-(5-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)butanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)butanamide is CCCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)butanamide?
The InChIKey is ODNNNBHENXCYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-4-11(14)13-10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(5-chloro-2-methylphenyl)butanamide?
N-(5-chloro-2-methylphenyl)butanamide has a molecular weight of 211.69 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 835301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).