2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide

C14H17Cl4NO2 — CID 154099049

IUPAC2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cl)Cl
InChIInChI=1S/C14H17Cl4NO2/c1-2-21-7-3-6-19(14(20)13(17)18)9-10-4-5-11(15)12(16)8-10/h4-5,8,13H,2-3,6-7,9H2,1H3
InChIKeyNMMOCZWLAHBPPG-UHFFFAOYSA-N
MW373.11 g/mol
LogP4.55
Rot. Bonds8

About 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide

2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide (PubChem CID 154099049) has the molecular formula C14H17Cl4NO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide
PubChem CID154099049
Molecular FormulaC14H17Cl4NO2
Molecular Weight373.11 g/mol
Exact Mass371.00
IUPAC Name2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cl)Cl
InChIInChI=1S/C14H17Cl4NO2/c1-2-21-7-3-6-19(14(20)13(17)18)9-10-4-5-11(15)12(16)8-10/h4-5,8,13H,2-3,6-7,9H2,1H3
InChIKeyNMMOCZWLAHBPPG-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide
CID 154381705
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
1,2-dichloro-4-(2-chloro-4-ethoxybutyl)benzene
CID 63047371
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
CID 119866058
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
1-[(3,4-dichlorophenyl)methyl]-3-(4-ethoxybutyl)-1,2-dimethylguanidine
CID 111306173
ethyl 2-[[(3,4-dichlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4576164

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide (CID 154099049) is 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide is CCOCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide?
The InChIKey is NMMOCZWLAHBPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl4NO2/c1-2-21-7-3-6-19(14(20)13(17)18)9-10-4-5-11(15)12(16)8-10/h4-5,8,13H,2-3,6-7,9H2,1H3.
What are the key properties of 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide?
2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide has a molecular weight of 373.11 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 154099049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).