N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride

C9H8Cl3NO2 — CID 115194513

IUPACN-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
SMILESCOc1c(Cl)cc(Cl)cc1N(C)C(=O)Cl
InChIInChI=1S/C9H8Cl3NO2/c1-13(9(12)14)7-4-5(10)3-6(11)8(7)15-2/h3-4H,1-2H3
InChIKeyABXOSTOCTSUQJX-UHFFFAOYSA-N
MW268.53 g/mol
LogP3.80
Rot. Bonds2

About N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride

N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride (PubChem CID 115194513) has the molecular formula C9H8Cl3NO2 and a molecular weight of 268.53 g/mol. Its IUPAC name is N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
PubChem CID115194513
Molecular FormulaC9H8Cl3NO2
Molecular Weight268.53 g/mol
Exact Mass266.96
IUPAC NameN-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
SMILESCOc1c(Cl)cc(Cl)cc1N(C)C(=O)Cl
InChIInChI=1S/C9H8Cl3NO2/c1-13(9(12)14)7-4-5(10)3-6(11)8(7)15-2/h3-4H,1-2H3
InChIKeyABXOSTOCTSUQJX-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
CID 117043212
(5-chloro-2-methoxy-3-methylphenyl)-methylcarbamothioic S-acid
CID 115169836
3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115216753
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
CID 10728138
3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
CID 82499843
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
CID 157172540
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride (CID 115194513) is N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride is COc1c(Cl)cc(Cl)cc1N(C)C(=O)Cl.
What is the InChIKey of N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
The InChIKey is ABXOSTOCTSUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO2/c1-13(9(12)14)7-4-5(10)3-6(11)8(7)15-2/h3-4H,1-2H3.
What are the key properties of N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride has a molecular weight of 268.53 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).