2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide

C14H17Cl2NO3 — CID 21403865

IUPAC2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC1OCCCO1)C(=O)CCl
InChIInChI=1S/C14H17Cl2NO3/c1-10-7-11(16)3-4-12(10)17(13(18)8-15)9-14-19-5-2-6-20-14/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyUTLFJHHBJHOWBY-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide

2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide (PubChem CID 21403865) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide
PubChem CID21403865
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC1OCCCO1)C(=O)CCl
InChIInChI=1S/C14H17Cl2NO3/c1-10-7-11(16)3-4-12(10)17(13(18)8-15)9-14-19-5-2-6-20-14/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyUTLFJHHBJHOWBY-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dithiepan-2-ylmethyl)acetamide
CID 21403914
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
2-chloro-N-(2,6-diethylphenyl)-N-(1,3-dioxepan-2-ylmethyl)acetamide
CID 21403978
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
CID 69481778
4-chloro-N,N-bis(2-chloroethyl)-2-methylaniline
CID 98591830
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide (CID 21403865) is 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide is Cc1cc(Cl)ccc1N(CC1OCCCO1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide?
The InChIKey is UTLFJHHBJHOWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-10-7-11(16)3-4-12(10)17(13(18)8-15)9-14-19-5-2-6-20-14/h3-4,7,14H,2,5-6,8-9H2,1H3.
What are the key properties of 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide?
2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-methylphenyl)-N-(1,3-dioxan-2-ylmethyl)acetamide is sourced from PubChem (CID 21403865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).