N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide

C15H22ClNO — CID 55183334

IUPACN-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(CCCCl)C(C)C)cc1
InChIInChI=1S/C15H22ClNO/c1-12(2)17(10-4-9-16)15(18)11-14-7-5-13(3)6-8-14/h5-8,12H,4,9-11H2,1-3H3
InChIKeyFOSJHAJVSMUGCF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.40
Rot. Bonds6

About N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide

N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 55183334) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
PubChem CID55183334
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(CCCCl)C(C)C)cc1
InChIInChI=1S/C15H22ClNO/c1-12(2)17(10-4-9-16)15(18)11-14-7-5-13(3)6-8-14/h5-8,12H,4,9-11H2,1-3H3
InChIKeyFOSJHAJVSMUGCF-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.40
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-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 63393742
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 63588884
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 77000861
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide (CID 55183334) is N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide is Cc1ccc(CC(=O)N(CCCCl)C(C)C)cc1.
What is the InChIKey of N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide?
The InChIKey is FOSJHAJVSMUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(2)17(10-4-9-16)15(18)11-14-7-5-13(3)6-8-14/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide?
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 267.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 55183334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).