N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide

C19H22Cl2N2O — CID 45269895

IUPACN-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide
SMILESCC(C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N2O/c1-12(18(24)23-19(2,3)4)13-8-5-6-11-16(13)22-17-14(20)9-7-10-15(17)21/h5-12,22H,1-4H3,(H,23,24)
InChIKeyYUOKWIGKXGRGFG-UHFFFAOYSA-N
MW365.30 g/mol
LogP5.76
Rot. Bonds4

About N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide

N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide (PubChem CID 45269895) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide
PubChem CID45269895
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC NameN-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide
SMILESCC(C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22Cl2N2O/c1-12(18(24)23-19(2,3)4)13-8-5-6-11-16(13)22-17-14(20)9-7-10-15(17)21/h5-12,22H,1-4H3,(H,23,24)
InChIKeyYUOKWIGKXGRGFG-UHFFFAOYSA-N
XLogP5.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide (CID 45269895) is N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide is CC(C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide?
The InChIKey is YUOKWIGKXGRGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-12(18(24)23-19(2,3)4)13-8-5-6-11-16(13)22-17-14(20)9-7-10-15(17)21/h5-12,22H,1-4H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide?
N-tert-butyl-2-[2-(2,6-dichloroanilino)phenyl]propanamide has a molecular weight of 365.30 g/mol, XLogP of 5.76, 4 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-(2,6-dichloroanilino)phenyl]propanamide is sourced from PubChem (CID 45269895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).