5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide

C19H16ClFN2O — CID 134990540

IUPAC5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide
SMILESNC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1CC1CC1
InChIInChI=1S/C19H16ClFN2O/c20-12-7-8-16-14(9-12)17(13-3-1-2-4-15(13)21)18(19(22)24)23(16)10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,22,24)
InChIKeyYCRTZXLIBSXMMA-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.61
Rot. Bonds4

About 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide

5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide (PubChem CID 134990540) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide
PubChem CID134990540
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide
SMILESNC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1CC1CC1
InChIInChI=1S/C19H16ClFN2O/c20-12-7-8-16-14(9-12)17(13-3-1-2-4-15(13)21)18(19(22)24)23(16)10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,22,24)
InChIKeyYCRTZXLIBSXMMA-UHFFFAOYSA-N
XLogP4.61
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide (CID 134990540) is 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide is NC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1CC1CC1.
What is the InChIKey of 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide?
The InChIKey is YCRTZXLIBSXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-12-7-8-16-14(9-12)17(13-3-1-2-4-15(13)21)18(19(22)24)23(16)10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,22,24).
What are the key properties of 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide?
5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide is sourced from PubChem (CID 134990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).