N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide

C15H22ClNO — CID 63393742

IUPACN-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(CC(=O)N(CCCl)C(C)C)c1
InChIInChI=1S/C15H22ClNO/c1-11(2)17(8-7-16)15(18)10-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyNIPICQZTUGAHER-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.32
Rot. Bonds5

About N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide

N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide (PubChem CID 63393742) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
PubChem CID63393742
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(CC(=O)N(CCCl)C(C)C)c1
InChIInChI=1S/C15H22ClNO/c1-11(2)17(8-7-16)15(18)10-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyNIPICQZTUGAHER-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 80662195
N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 62538513
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
N-(2-chloroethyl)-2-hydroxy-4-methyl-N-propan-2-ylbenzamide
CID 63393752
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132654863
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132670461
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132654822
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide (CID 63393742) is N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide is Cc1ccc(C)c(CC(=O)N(CCCl)C(C)C)c1.
What is the InChIKey of N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The InChIKey is NIPICQZTUGAHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)17(8-7-16)15(18)10-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide has a molecular weight of 267.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 63393742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).