4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide

C18H17Cl3N2O4 — CID 55893966

IUPAC4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl3N2O4/c1-23(2)18(25)10-4-5-15(26-3)14(6-10)22-17(24)9-27-16-8-12(20)11(19)7-13(16)21/h4-8H,9H2,1-3H3,(H,22,24)
InChIKeySJHCXQMNKBRDCH-UHFFFAOYSA-N
MW431.70 g/mol
LogP4.37
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide

4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide (PubChem CID 55893966) has the molecular formula C18H17Cl3N2O4 and a molecular weight of 431.70 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
PubChem CID55893966
Molecular FormulaC18H17Cl3N2O4
Molecular Weight431.70 g/mol
Exact Mass430.03
IUPAC Name4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl3N2O4/c1-23(2)18(25)10-4-5-15(26-3)14(6-10)22-17(24)9-27-16-8-12(20)11(19)7-13(16)21/h4-8H,9H2,1-3H3,(H,22,24)
InChIKeySJHCXQMNKBRDCH-UHFFFAOYSA-N
XLogP4.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.70
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60537519
methyl 3-chloro-4-[2-oxo-2-(2,4,5-trichloroanilino)ethoxy]benzoate
CID 55320888
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 119741837
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 48796735
3-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55892956
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide (CID 55893966) is 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide?
The InChIKey is SJHCXQMNKBRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O4/c1-23(2)18(25)10-4-5-15(26-3)14(6-10)22-17(24)9-27-16-8-12(20)11(19)7-13(16)21/h4-8H,9H2,1-3H3,(H,22,24).
What are the key properties of 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide?
4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide has a molecular weight of 431.70 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 55893966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).