2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C18H16Cl3N3O4 — CID 2457198

IUPAC2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C18H16Cl3N3O4/c1-28-15-5-3-11(7-14(15)21)24-17(26)9-22-16(25)8-23-18(27)12-4-2-10(19)6-13(12)20/h2-7H,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyUNJQGXNTBWFKKY-UHFFFAOYSA-N
MW444.70 g/mol
LogP3.14
Rot. Bonds7

About 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 2457198) has the molecular formula C18H16Cl3N3O4 and a molecular weight of 444.70 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID2457198
Molecular FormulaC18H16Cl3N3O4
Molecular Weight444.70 g/mol
Exact Mass443.02
IUPAC Name2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C18H16Cl3N3O4/c1-28-15-5-3-11(7-14(15)21)24-17(26)9-22-16(25)8-23-18(27)12-4-2-10(19)6-13(12)20/h2-7H,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyUNJQGXNTBWFKKY-UHFFFAOYSA-N
XLogP3.14
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.70
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 2457198) is 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is UNJQGXNTBWFKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O4/c1-28-15-5-3-11(7-14(15)21)24-17(26)9-22-16(25)8-23-18(27)12-4-2-10(19)6-13(12)20/h2-7H,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 444.70 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2457198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).