N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide

C15H21Cl2NO — CID 19873472

IUPACN-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
SMILESCCc1cccc(C(C)(C)C)c1N(CCl)C(=O)CCl
InChIInChI=1S/C15H21Cl2NO/c1-5-11-7-6-8-12(15(2,3)4)14(11)18(10-17)13(19)9-16/h6-8H,5,9-10H2,1-4H3
InChIKeyPULRDMISSGAJIT-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.31
Rot. Bonds4

About N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide

N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide (PubChem CID 19873472) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
PubChem CID19873472
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
SMILESCCc1cccc(C(C)(C)C)c1N(CCl)C(=O)CCl
InChIInChI=1S/C15H21Cl2NO/c1-5-11-7-6-8-12(15(2,3)4)14(11)18(10-17)13(19)9-16/h6-8H,5,9-10H2,1-4H3
InChIKeyPULRDMISSGAJIT-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-chloro-N-[2-ethyl-6-(trifluoromethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 67902749
N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
CID 18630159
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
2-chloro-N-(2,6-diethylphenyl)-N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]acetamide
CID 21403924
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
CID 21403992
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
N-[2-tert-butyl-6-[(4-methylphenoxy)methyl]phenyl]-2-chloro-N-methylacetamide
CID 12818247
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
CID 12769785

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide?
The IUPAC name of N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide (CID 19873472) is N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide?
The canonical SMILES for N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide is CCc1cccc(C(C)(C)C)c1N(CCl)C(=O)CCl.
What is the InChIKey of N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide?
The InChIKey is PULRDMISSGAJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-5-11-7-6-8-12(15(2,3)4)14(11)18(10-17)13(19)9-16/h6-8H,5,9-10H2,1-4H3.
What are the key properties of N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide?
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide has a molecular weight of 302.25 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide is sourced from PubChem (CID 19873472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).