N-(2,2-dichloro-1-methoxyethyl)benzamide

C10H11Cl2NO2 — CID 3544420

IUPACN-(2,2-dichloro-1-methoxyethyl)benzamide
SMILESCOC(NC(=O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H11Cl2NO2/c1-15-10(8(11)12)13-9(14)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,13,14)
InChIKeyWKGOULNTYPFWOZ-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.19
Rot. Bonds4

About N-(2,2-dichloro-1-methoxyethyl)benzamide

N-(2,2-dichloro-1-methoxyethyl)benzamide (PubChem CID 3544420) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is N-(2,2-dichloro-1-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-methoxyethyl)benzamide
PubChem CID3544420
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC NameN-(2,2-dichloro-1-methoxyethyl)benzamide
SMILESCOC(NC(=O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C10H11Cl2NO2/c1-15-10(8(11)12)13-9(14)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,13,14)
InChIKeyWKGOULNTYPFWOZ-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-dichloro-1-(methylamino)ethyl]benzamide
CID 10868605
N-(1-methoxypropyl)benzamide
CID 102478557
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-[(1R)-1-benzamido-2,2-dichloroethyl]sulfanylacetate
CID 98207086
CID 68891597
CID 68891597
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265
(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
CID 11432604
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-(1-methoxybut-3-enyl)benzamide
CID 3700027
methyl 2-benzamido-3,3-dichloro-2-methoxypropanoate
CID 15562203
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-1-methoxyethyl)benzamide?
The IUPAC name of N-(2,2-dichloro-1-methoxyethyl)benzamide (CID 3544420) is N-(2,2-dichloro-1-methoxyethyl)benzamide.
What is the SMILES notation for N-(2,2-dichloro-1-methoxyethyl)benzamide?
The canonical SMILES for N-(2,2-dichloro-1-methoxyethyl)benzamide is COC(NC(=O)c1ccccc1)C(Cl)Cl.
What is the InChIKey of N-(2,2-dichloro-1-methoxyethyl)benzamide?
The InChIKey is WKGOULNTYPFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-15-10(8(11)12)13-9(14)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,13,14).
What are the key properties of N-(2,2-dichloro-1-methoxyethyl)benzamide?
N-(2,2-dichloro-1-methoxyethyl)benzamide has a molecular weight of 248.11 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-1-methoxyethyl)benzamide is sourced from PubChem (CID 3544420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).