2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide

C11H13ClN2O2 — CID 114843948

IUPAC2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(Cl)ccc1C=O
InChIInChI=1S/C11H13ClN2O2/c1-13-11(16)6-14(2)10-5-9(12)4-3-8(10)7-15/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyKDEMQMAXIIMTFH-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.33
Rot. Bonds4

About 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide

2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide (PubChem CID 114843948) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
PubChem CID114843948
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(Cl)ccc1C=O
InChIInChI=1S/C11H13ClN2O2/c1-13-11(16)6-14(2)10-5-9(12)4-3-8(10)7-15/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyKDEMQMAXIIMTFH-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
CID 114844095
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 114844058
4-chloro-2-[(2-hydroxy-3-methoxypropyl)-methylamino]benzaldehyde
CID 114844149
2-(5-bromo-2-formyl-N-propylanilino)-N-methylacetamide
CID 54984775
(E)-3-[5-bromo-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]phenyl]prop-2-enoic acid
CID 114061884
2-[tert-butyl(methyl)amino]-4-chlorobenzaldehyde
CID 130756589
4-chloro-2-[methyl(pentan-3-yl)amino]benzaldehyde
CID 114843974
4-chloro-2-[methyl(thiophen-3-ylmethyl)amino]benzaldehyde
CID 114843956
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzaldehyde
CID 114844001
4-chloro-2-[methyl(oxan-4-ylmethyl)amino]benzaldehyde
CID 114844340
4-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 114845016

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide (CID 114843948) is 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide is CNC(=O)CN(C)c1cc(Cl)ccc1C=O.
What is the InChIKey of 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide?
The InChIKey is KDEMQMAXIIMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-13-11(16)6-14(2)10-5-9(12)4-3-8(10)7-15/h3-5,7H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide?
2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide has a molecular weight of 240.69 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide is sourced from PubChem (CID 114843948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).