N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide

C14H18ClNO4 — CID 15710031

IUPACN-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cc(OC)c(NC(=O)C(C)(C)C)c(Cl)c1C=O
InChIInChI=1S/C14H18ClNO4/c1-14(2,3)13(18)16-12-10(20-5)6-9(19-4)8(7-17)11(12)15/h6-7H,1-5H3,(H,16,18)
InChIKeyNDKACVFFIGCPMJ-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.15
Rot. Bonds4

About N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide

N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 15710031) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide
PubChem CID15710031
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC NameN-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1cc(OC)c(NC(=O)C(C)(C)C)c(Cl)c1C=O
InChIInChI=1S/C14H18ClNO4/c1-14(2,3)13(18)16-12-10(20-5)6-9(19-4)8(7-17)11(12)15/h6-7H,1-5H3,(H,16,18)
InChIKeyNDKACVFFIGCPMJ-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide
CID 15205514
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
2-acetyl-4-chloro-6-methoxybenzaldehyde
CID 171002394
N-(2,6-dichloro-3,5-dimethoxyphenyl)-2,2-dimethyl-N-(methylcarbamoyl)propanamide
CID 151494641
N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 166517759
methyl 3-formyl-2,6-dihydroxy-4-methoxybenzoate
CID 71332014
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
N-[2-(2-acetamido-3-chloro-4-hydroxy-5-methylphenyl)-4,5-dimethoxyphenyl]-2,2-dimethylpropanamide
CID 164677114
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide
CID 112989711

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide (CID 15710031) is N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide is COc1cc(OC)c(NC(=O)C(C)(C)C)c(Cl)c1C=O.
What is the InChIKey of N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is NDKACVFFIGCPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-14(2,3)13(18)16-12-10(20-5)6-9(19-4)8(7-17)11(12)15/h6-7H,1-5H3,(H,16,18).
What are the key properties of N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide?
N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 299.75 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 15710031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).