2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide

C23H22Cl2N4O2 — CID 51132431

IUPAC2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
SMILESO=C(CNc1ccccc1Cl)NCc1cccc(NC(=O)CNc2ccccc2Cl)c1
InChIInChI=1S/C23H22Cl2N4O2/c24-18-8-1-3-10-20(18)26-14-22(30)28-13-16-6-5-7-17(12-16)29-23(31)15-27-21-11-4-2-9-19(21)25/h1-12,26-27H,13-15H2,(H,28,30)(H,29,31)
InChIKeyHXIXGXNJHSXHRI-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.77
Rot. Bonds9

About 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide

2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 51132431) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
PubChem CID51132431
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC Name2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
SMILESO=C(CNc1ccccc1Cl)NCc1cccc(NC(=O)CNc2ccccc2Cl)c1
InChIInChI=1S/C23H22Cl2N4O2/c24-18-8-1-3-10-20(18)26-14-22(30)28-13-16-6-5-7-17(12-16)29-23(31)15-27-21-11-4-2-9-19(21)25/h1-12,26-27H,13-15H2,(H,28,30)(H,29,31)
InChIKeyHXIXGXNJHSXHRI-UHFFFAOYSA-N
XLogP4.77
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815243
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide (CID 51132431) is 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide is O=C(CNc1ccccc1Cl)NCc1cccc(NC(=O)CNc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is HXIXGXNJHSXHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c24-18-8-1-3-10-20(18)26-14-22(30)28-13-16-6-5-7-17(12-16)29-23(31)15-27-21-11-4-2-9-19(21)25/h1-12,26-27H,13-15H2,(H,28,30)(H,29,31).
What are the key properties of 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide?
2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 457.36 g/mol, XLogP of 4.77, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 51132431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).