3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

C23H22ClN3O2 — CID 55912741

IUPAC3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2[nH]c3ccccc3c2Cl)C2CC2)cc1
InChIInChI=1S/C23H22ClN3O2/c24-20-18-3-1-2-4-19(18)26-21(20)23(29)27(17-11-12-17)13-14-5-7-15(8-6-14)22(28)25-16-9-10-16/h1-8,16-17,26H,9-13H2,(H,25,28)
InChIKeyFRHCGMPVHLXWST-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.52
Rot. Bonds6

About 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 55912741) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID55912741
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2[nH]c3ccccc3c2Cl)C2CC2)cc1
InChIInChI=1S/C23H22ClN3O2/c24-20-18-3-1-2-4-19(18)26-21(20)23(29)27(17-11-12-17)13-14-5-7-15(8-6-14)22(28)25-16-9-10-16/h1-8,16-17,26H,9-13H2,(H,25,28)
InChIKeyFRHCGMPVHLXWST-UHFFFAOYSA-N
XLogP4.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
CID 38042817
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 51090240
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 34179436
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 33340647
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
CID 38043067
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 55912741) is 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NC1CC1)c1ccc(CN(C(=O)c2[nH]c3ccccc3c2Cl)C2CC2)cc1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is FRHCGMPVHLXWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-20-18-3-1-2-4-19(18)26-21(20)23(29)27(17-11-12-17)13-14-5-7-15(8-6-14)22(28)25-16-9-10-16/h1-8,16-17,26H,9-13H2,(H,25,28).
What are the key properties of 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55912741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).