1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide

C19H19ClN2O — CID 22627297

IUPAC1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide
SMILESCCCc1cc2c(C(N)=O)cccc2n1Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O/c1-2-6-14-11-16-15(19(21)23)8-5-10-18(16)22(14)12-13-7-3-4-9-17(13)20/h3-5,7-11H,2,6,12H2,1H3,(H2,21,23)
InChIKeyNPZXZBPOEVTNSL-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.39
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide

1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide (PubChem CID 22627297) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide
PubChem CID22627297
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide
SMILESCCCc1cc2c(C(N)=O)cccc2n1Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O/c1-2-6-14-11-16-15(19(21)23)8-5-10-18(16)22(14)12-13-7-3-4-9-17(13)20/h3-5,7-11H,2,6,12H2,1H3,(H2,21,23)
InChIKeyNPZXZBPOEVTNSL-UHFFFAOYSA-N
XLogP4.39
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(2-chlorophenyl)methyl]-3-ethylindole-6-carboxamide
CID 22627339
1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide
CID 10270421
2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
CID 172738667
1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide
CID 24952722
2-methyl-3-propylbenzamide
CID 66693156
1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
CID 22627368
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
ethyl 1-[(2-chlorophenyl)methyl]-3-pyrrol-1-ylindole-2-carboxylate
CID 1486445
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
1-[(2-chlorophenyl)methyl]-4-hydroxyquinolin-2-one
CID 54679720

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide (CID 22627297) is 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide is CCCc1cc2c(C(N)=O)cccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide?
The InChIKey is NPZXZBPOEVTNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-2-6-14-11-16-15(19(21)23)8-5-10-18(16)22(14)12-13-7-3-4-9-17(13)20/h3-5,7-11H,2,6,12H2,1H3,(H2,21,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide is sourced from PubChem (CID 22627297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).