N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide

C14H20Cl2N2O — CID 104726706

IUPACN-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
SMILESCc1cc(Cl)c(NC(C)C(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-8-6-11(16)12(7-10(8)15)17-9(2)13(19)18-14(3,4)5/h6-7,9,17H,1-5H3,(H,18,19)
InChIKeyNMIBDWMJTNYRQJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.02
Rot. Bonds3

About N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide

N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide (PubChem CID 104726706) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
PubChem CID104726706
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
SMILESCc1cc(Cl)c(NC(C)C(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-8-6-11(16)12(7-10(8)15)17-9(2)13(19)18-14(3,4)5/h6-7,9,17H,1-5H3,(H,18,19)
InChIKeyNMIBDWMJTNYRQJ-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
N-methyl-2-(2,4,5-trichloroanilino)propanamide
CID 43116604
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113422
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide?
The IUPAC name of N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide (CID 104726706) is N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide?
The canonical SMILES for N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide is Cc1cc(Cl)c(NC(C)C(=O)NC(C)(C)C)cc1Cl.
What is the InChIKey of N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide?
The InChIKey is NMIBDWMJTNYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-8-6-11(16)12(7-10(8)15)17-9(2)13(19)18-14(3,4)5/h6-7,9,17H,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide?
N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide has a molecular weight of 303.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide is sourced from PubChem (CID 104726706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).