1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide

C19H18ClN3O2 — CID 113213191

IUPAC1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3O2/c1-12(24)23-11-17(16-9-4-13(20)10-18(16)23)19(25)21-14-5-7-15(8-6-14)22(2)3/h4-11H,1-3H3,(H,21,25)
InChIKeyBYBANAAFJPBURS-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.27
Rot. Bonds3

About 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide

1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide (PubChem CID 113213191) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
PubChem CID113213191
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3O2/c1-12(24)23-11-17(16-9-4-13(20)10-18(16)23)19(25)21-14-5-7-15(8-6-14)22(2)3/h4-11H,1-3H3,(H,21,25)
InChIKeyBYBANAAFJPBURS-UHFFFAOYSA-N
XLogP4.27
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide (CID 113213191) is 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide is CC(=O)n1cc(C(=O)Nc2ccc(N(C)C)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide?
The InChIKey is BYBANAAFJPBURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(24)23-11-17(16-9-4-13(20)10-18(16)23)19(25)21-14-5-7-15(8-6-14)22(2)3/h4-11H,1-3H3,(H,21,25).
What are the key properties of 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide?
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide is sourced from PubChem (CID 113213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).