3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide

C23H25ClN2O2 — CID 139765109

IUPAC3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cn2c1Cc1ccccc1Cl
InChIInChI=1S/C23H25ClN2O2/c1-4-7-17-20(12-15-8-5-6-9-18(15)24)26-13-16(23(25)28)10-11-19(26)21(17)22(27)14(2)3/h5-6,8-11,13-14H,4,7,12H2,1-3H3,(H2,25,28)
InChIKeyOBUCASCHZRBUEB-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.07
Rot. Bonds7

About 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide

3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide (PubChem CID 139765109) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide
PubChem CID139765109
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cn2c1Cc1ccccc1Cl
InChIInChI=1S/C23H25ClN2O2/c1-4-7-17-20(12-15-8-5-6-9-18(15)24)26-13-16(23(25)28)10-11-19(26)21(17)22(27)14(2)3/h5-6,8-11,13-14H,4,7,12H2,1-3H3,(H2,25,28)
InChIKeyOBUCASCHZRBUEB-UHFFFAOYSA-N
XLogP5.07
TPSA64.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
CID 139765111
methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate
CID 22627488
methyl 3-[(2-chlorophenyl)methyl]-2-propylindolizine-6-carboxylate
CID 11131658
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363
3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide
CID 22627332
3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
CID 22627505
methyl 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propylindole-6-carboxylate
CID 22627428
3-(2-methylpropanoyl)-2-propyl-1-(pyridin-2-ylmethyl)indole-6-carboxamide
CID 22627245
1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
CID 22627368
2-chloro-1-[(2-chlorophenyl)methyl]-3-ethylindole-6-carboxamide
CID 22627339
methyl 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate
CID 22627324
1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide
CID 1399053

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide (CID 139765109) is 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide is CCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cn2c1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide?
The InChIKey is OBUCASCHZRBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-4-7-17-20(12-15-8-5-6-9-18(15)24)26-13-16(23(25)28)10-11-19(26)21(17)22(27)14(2)3/h5-6,8-11,13-14H,4,7,12H2,1-3H3,(H2,25,28).
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide?
3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxamide is sourced from PubChem (CID 139765109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).