4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide

C17H16ClN3O — CID 146618980

IUPAC4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc3cc(Cl)ccc3n2N)cc1
InChIInChI=1S/C17H16ClN3O/c1-20(2)17(22)12-5-3-11(4-6-12)16-10-13-9-14(18)7-8-15(13)21(16)19/h3-10H,19H2,1-2H3
InChIKeyOTEKCYQRSDVDPB-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.38
Rot. Bonds2

About 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide

4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide (PubChem CID 146618980) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide
PubChem CID146618980
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc3cc(Cl)ccc3n2N)cc1
InChIInChI=1S/C17H16ClN3O/c1-20(2)17(22)12-5-3-11(4-6-12)16-10-13-9-14(18)7-8-15(13)21(16)19/h3-10H,19H2,1-2H3
InChIKeyOTEKCYQRSDVDPB-UHFFFAOYSA-N
XLogP3.38
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide (CID 146618980) is 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc3cc(Cl)ccc3n2N)cc1.
What is the InChIKey of 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide?
The InChIKey is OTEKCYQRSDVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-20(2)17(22)12-5-3-11(4-6-12)16-10-13-9-14(18)7-8-15(13)21(16)19/h3-10H,19H2,1-2H3.
What are the key properties of 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide?
4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide has a molecular weight of 313.79 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-5-chloroindol-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 146618980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).