3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

C25H25ClN4O3 — CID 60537356

IUPAC3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C25H25ClN4O3/c1-16-11-12-18(25(33)29-19-7-4-3-5-8-19)13-22(16)27-14-23(31)28-15-24(32)30-21-10-6-9-20(26)17(21)2/h3-13,27H,14-15H2,1-2H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyHMQOMCNEKGKMFQ-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.38
Rot. Bonds8

About 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide

3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 60537356) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID60537356
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C25H25ClN4O3/c1-16-11-12-18(25(33)29-19-7-4-3-5-8-19)13-22(16)27-14-23(31)28-15-24(32)30-21-10-6-9-20(26)17(21)2/h3-13,27H,14-15H2,1-2H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyHMQOMCNEKGKMFQ-UHFFFAOYSA-N
XLogP4.38
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703647
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703646
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide (CID 60537356) is 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is HMQOMCNEKGKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-16-11-12-18(25(33)29-19-7-4-3-5-8-19)13-22(16)27-14-23(31)28-15-24(32)30-21-10-6-9-20(26)17(21)2/h3-13,27H,14-15H2,1-2H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide?
3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 464.95 g/mol, XLogP of 4.38, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 60537356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).