3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide

C11H13Cl2NO2 — CID 82110952

IUPAC3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CCCl
InChIInChI=1S/C11H13Cl2NO2/c1-16-10-3-2-9(13)6-8(10)7-14-11(15)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyOCMQYWYKFIKVHG-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.59
Rot. Bonds5

About 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide

3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide (PubChem CID 82110952) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
PubChem CID82110952
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CCCl
InChIInChI=1S/C11H13Cl2NO2/c1-16-10-3-2-9(13)6-8(10)7-14-11(15)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyOCMQYWYKFIKVHG-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 112841991
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid
CID 82043100
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide (CID 82110952) is 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide is COc1ccc(Cl)cc1CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide?
The InChIKey is OCMQYWYKFIKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-16-10-3-2-9(13)6-8(10)7-14-11(15)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide?
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide has a molecular weight of 262.14 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 82110952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).