N-(4-chloro-2-methylphenyl)-2-methylpropanamide

C11H14ClNO — CID 885868

IUPACN-(4-chloro-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)C
InChIInChI=1S/C11H14ClNO/c1-7(2)11(14)13-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H,13,14)
InChIKeyZUPDMXRHLMEDLP-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.24
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2-methylpropanamide

N-(4-chloro-2-methylphenyl)-2-methylpropanamide (PubChem CID 885868) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-methylpropanamide
PubChem CID885868
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(4-chloro-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)C
InChIInChI=1S/C11H14ClNO/c1-7(2)11(14)13-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H,13,14)
InChIKeyZUPDMXRHLMEDLP-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-methylpropanamide (CID 885868) is N-(4-chloro-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-methylpropanamide is Cc1cc(Cl)ccc1NC(=O)C(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-methylpropanamide?
The InChIKey is ZUPDMXRHLMEDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(2)11(14)13-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-methylpropanamide?
N-(4-chloro-2-methylphenyl)-2-methylpropanamide has a molecular weight of 211.69 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 885868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).