N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide

C13H18ClNO — CID 114302763

IUPACN-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(C)CCl)cc1
InChIInChI=1S/C13H18ClNO/c1-10-3-5-12(6-4-10)7-13(16)15-9-11(2)8-14/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyYVQGFHCMGMIDTQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.53
Rot. Bonds5

About N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide

N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide (PubChem CID 114302763) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
PubChem CID114302763
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(C)CCl)cc1
InChIInChI=1S/C13H18ClNO/c1-10-3-5-12(6-4-10)7-13(16)15-9-11(2)8-14/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyYVQGFHCMGMIDTQ-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.53
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-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114306229
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
5-methyl-3-[[[2-(4-methylphenyl)acetyl]amino]methyl]hexanoic acid
CID 65492664
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide (CID 114302763) is N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(C)CCl)cc1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide?
The InChIKey is YVQGFHCMGMIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-3-5-12(6-4-10)7-13(16)15-9-11(2)8-14/h3-6,11H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide?
N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide has a molecular weight of 239.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 114302763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).