N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide

C19H21Cl2N3O2 — CID 55351392

IUPACN-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-11(2)18(25)23-15-7-5-14(6-8-15)22-12(3)19(26)24-17-10-13(20)4-9-16(17)21/h4-12,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyIHFVBOCKAABXJB-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.03
Rot. Bonds6

About N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide

N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide (PubChem CID 55351392) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
PubChem CID55351392
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-11(2)18(25)23-15-7-5-14(6-8-15)22-12(3)19(26)24-17-10-13(20)4-9-16(17)21/h4-12,22H,1-3H3,(H,23,25)(H,24,26)
InChIKeyIHFVBOCKAABXJB-UHFFFAOYSA-N
XLogP5.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542560
N-(2,5-dichlorophenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358493

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide (CID 55351392) is N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(C)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
The InChIKey is IHFVBOCKAABXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-11(2)18(25)23-15-7-5-14(6-8-15)22-12(3)19(26)24-17-10-13(20)4-9-16(17)21/h4-12,22H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide has a molecular weight of 394.30 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55351392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).