N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride

C9H9Cl2NO2 — CID 115194462

IUPACN-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
SMILESCOc1ccc(Cl)cc1N(C)C(=O)Cl
InChIInChI=1S/C9H9Cl2NO2/c1-12(9(11)13)7-5-6(10)3-4-8(7)14-2/h3-5H,1-2H3
InChIKeyTYRUMFNSGYIYKH-UHFFFAOYSA-N
MW234.08 g/mol
LogP3.14
Rot. Bonds2

About N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride

N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride (PubChem CID 115194462) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
PubChem CID115194462
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
SMILESCOc1ccc(Cl)cc1N(C)C(=O)Cl
InChIInChI=1S/C9H9Cl2NO2/c1-12(9(11)13)7-5-6(10)3-4-8(7)14-2/h3-5H,1-2H3
InChIKeyTYRUMFNSGYIYKH-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.14
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'-methylmethanediamine
CID 115225518
N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194513
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
CID 4179677
2-(5-chloro-N-formyl-2-methoxyanilino)-3-methylbutanoic acid
CID 20848097
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
CID 139838408
3-(5-chloro-N-formyl-2-methoxyanilino)propanoic acid
CID 20848120
3-amino-N-(5-chloro-2-methoxyphenyl)-N-ethylpropanamide
CID 28795390
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride (CID 115194462) is N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride is COc1ccc(Cl)cc1N(C)C(=O)Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
The InChIKey is TYRUMFNSGYIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12(9(11)13)7-5-6(10)3-4-8(7)14-2/h3-5H,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride?
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride has a molecular weight of 234.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).