3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide

C19H24ClN3O — CID 109038931

IUPAC3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-13-11-14(2)19(17(20)12-13)21-10-9-18(24)22-15-5-7-16(8-6-15)23(3)4/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,24)
InChIKeyVBVIVYNHHWSTIE-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.46
Rot. Bonds6

About 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide

3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 109038931) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID109038931
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-13-11-14(2)19(17(20)12-13)21-10-9-18(24)22-15-5-7-16(8-6-15)23(3)4/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,24)
InChIKeyVBVIVYNHHWSTIE-UHFFFAOYSA-N
XLogP4.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982874
3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
methyl 4-[3-(2,4,6-trimethylanilino)propanoylamino]benzoate
CID 109037051

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide (CID 109038931) is 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide is Cc1cc(C)c(NCCC(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is VBVIVYNHHWSTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-13-11-14(2)19(17(20)12-13)21-10-9-18(24)22-15-5-7-16(8-6-15)23(3)4/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,24).
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 345.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 109038931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).