N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide

C18H19Cl2N3O2 — CID 54819782

IUPACN-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)18(25)23-14-6-4-13(5-7-14)22-17(24)10-21-16-9-12(19)3-8-15(16)20/h3-9,11,21H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNRSIXLQMNMJYDZ-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.64
Rot. Bonds6

About N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54819782) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54819782
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)18(25)23-14-6-4-13(5-7-14)22-17(24)10-21-16-9-12(19)3-8-15(16)20/h3-9,11,21H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNRSIXLQMNMJYDZ-UHFFFAOYSA-N
XLogP4.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-(2,5-dichloroanilino)acetamide
CID 26416996
2-(2,5-dichloroanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 26417029
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-methyl-N-[4-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54830533
2-(5-bromo-2-chloroanilino)-N-(4-chlorophenyl)acetamide
CID 63492462
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54819813
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide (CID 54819782) is N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is NRSIXLQMNMJYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-11(2)18(25)23-14-6-4-13(5-7-14)22-17(24)10-21-16-9-12(19)3-8-15(16)20/h3-9,11,21H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 380.28 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54819782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).