N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide

C14H17Cl2NO2 — CID 3659695

IUPACN-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide
SMILESCCC(C)c1ccccc1N(C(=O)CCl)C(=O)CCl
InChIInChI=1S/C14H17Cl2NO2/c1-3-10(2)11-6-4-5-7-12(11)17(13(18)8-15)14(19)9-16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyMLIGJEYSWPUPQC-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.54
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide

N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide (PubChem CID 3659695) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide
PubChem CID3659695
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide
SMILESCCC(C)c1ccccc1N(C(=O)CCl)C(=O)CCl
InChIInChI=1S/C14H17Cl2NO2/c1-3-10(2)11-6-4-5-7-12(11)17(13(18)8-15)14(19)9-16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyMLIGJEYSWPUPQC-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamothioyl-2-chloro-N-(2-propan-2-ylphenyl)acetamide
CID 118898422
2-butan-2-ylphenol;formaldehyde
CID 66765994
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CID 55110758
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 18977846
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 55247136
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
ethyl 2,6-di(butan-2-yl)benzoate
CID 166060027
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide (CID 3659695) is N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide is CCC(C)c1ccccc1N(C(=O)CCl)C(=O)CCl.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide?
The InChIKey is MLIGJEYSWPUPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-3-10(2)11-6-4-5-7-12(11)17(13(18)8-15)14(19)9-16/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide?
N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-chloro-N-(2-chloroacetyl)acetamide is sourced from PubChem (CID 3659695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).