N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C19H21Cl2N3O2 — CID 54819617

IUPACN-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CNc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-19(2,3)18(26)24-14-6-4-5-13(10-14)23-17(25)11-22-16-9-12(20)7-8-15(16)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUXQIAFQOKQBTID-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.03
Rot. Bonds5

About N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 54819617) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID54819617
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CNc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-19(2,3)18(26)24-14-6-4-5-13(10-14)23-17(25)11-22-16-9-12(20)7-8-15(16)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUXQIAFQOKQBTID-UHFFFAOYSA-N
XLogP5.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819787
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
N-[3-[[2-(2,5-dimethylanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812945
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54819586
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 54819617) is N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)CNc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is UXQIAFQOKQBTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-19(2,3)18(26)24-14-6-4-5-13(10-14)23-17(25)11-22-16-9-12(20)7-8-15(16)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 394.30 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54819617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).