N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide

C17H19ClN2O — CID 112987182

IUPACN-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-4-16(21)19-13-5-7-14(8-6-13)20-17-12(3)9-11(2)10-15(17)18/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKeyYOLIYRMMBFAZTB-UHFFFAOYSA-N
MW302.81 g/mol
LogP5.05
Rot. Bonds4

About N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide

N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide (PubChem CID 112987182) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
PubChem CID112987182
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-4-16(21)19-13-5-7-14(8-6-13)20-17-12(3)9-11(2)10-15(17)18/h5-10,20H,4H2,1-3H3,(H,19,21)
InChIKeyYOLIYRMMBFAZTB-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.81
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
N-[4-(3,4-dichloroanilino)phenyl]propanamide
CID 112989591
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
CID 109181511
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109244991

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide?
The IUPAC name of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide (CID 112987182) is N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide?
The canonical SMILES for N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide is CCC(=O)Nc1ccc(Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide?
The InChIKey is YOLIYRMMBFAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-4-16(21)19-13-5-7-14(8-6-13)20-17-12(3)9-11(2)10-15(17)18/h5-10,20H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide?
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide has a molecular weight of 302.81 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide is sourced from PubChem (CID 112987182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).