4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene

C14H17ClN2O — CID 145367439

IUPAC4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene
SMILESC=CC.Cc1ccc2c(cc(C(N)=O)n2C)c1Cl
InChIInChI=1S/C11H11ClN2O.C3H6/c1-6-3-4-8-7(10(6)12)5-9(11(13)15)14(8)2;1-3-2/h3-5H,1-2H3,(H2,13,15);3H,1H2,2H3
InChIKeyMDRSDSKAKLOEBZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.43
Rot. Bonds1

About 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene

4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene (PubChem CID 145367439) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene.

Molecular Properties

Compound Name4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene
PubChem CID145367439
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene
SMILESC=CC.Cc1ccc2c(cc(C(N)=O)n2C)c1Cl
InChIInChI=1S/C11H11ClN2O.C3H6/c1-6-3-4-8-7(10(6)12)5-9(11(13)15)14(8)2;1-3-2/h3-5H,1-2H3,(H2,13,15);3H,1H2,2H3
InChIKeyMDRSDSKAKLOEBZ-UHFFFAOYSA-N
XLogP3.43
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1,6-dimethylindole-2-carboxamide
CID 142427655
5-chloro-1,4-dimethylindole-2-carbonyl chloride
CID 130408859
2-[4-[3-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]butanoic acid;prop-2-enyl 2-[4-[3-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]butanoate
CID 159180969
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
4-chloro-1,5-dimethyl-N-[4-(1H-pyrazol-5-ylamino)sulfanylphenyl]indole-2-carboxamide
CID 145367749
4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 130408441
N-[3-[4-(acetylsulfamoyl)phenyl]oxetan-3-yl]-4-chloro-1,5-dimethylindole-2-carboxamide
CID 161190148
1-methylpyrrole-2,5-dicarboxamide
CID 141229760
N-[3-(acetylsulfamoylamino)-1-[3-(hydroxymethyl)phenyl]propyl]-4-chloro-1,5-dimethylindole-2-carboxamide
CID 163904000
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene?
The IUPAC name of 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene (CID 145367439) is 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene.
What is the SMILES notation for 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene?
The canonical SMILES for 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene is C=CC.Cc1ccc2c(cc(C(N)=O)n2C)c1Cl.
What is the InChIKey of 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene?
The InChIKey is MDRSDSKAKLOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.C3H6/c1-6-3-4-8-7(10(6)12)5-9(11(13)15)14(8)2;1-3-2/h3-5H,1-2H3,(H2,13,15);3H,1H2,2H3.
What are the key properties of 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene?
4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene has a molecular weight of 264.76 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene is sourced from PubChem (CID 145367439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).