N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide

C14H20ClNO — CID 114306229

IUPACN-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(C)CCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-11-3-5-13(6-4-11)9-14(17)16-10-12(2)7-8-15/h3-6,12H,7-10H2,1-2H3,(H,16,17)
InChIKeyODEOJPVJYHYADM-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.92
Rot. Bonds6

About N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide

N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide (PubChem CID 114306229) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
PubChem CID114306229
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(C)CCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-11-3-5-13(6-4-11)9-14(17)16-10-12(2)7-8-15/h3-6,12H,7-10H2,1-2H3,(H,16,17)
InChIKeyODEOJPVJYHYADM-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.92
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-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
CID 114302763
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide
CID 100622638
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-(4-chloro-2-methylbutyl)-2-methylpropanamide
CID 114306119
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide (CID 114306229) is N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(C)CCCl)cc1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide?
The InChIKey is ODEOJPVJYHYADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-3-5-13(6-4-11)9-14(17)16-10-12(2)7-8-15/h3-6,12H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide?
N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide has a molecular weight of 253.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 114306229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).