5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide

C20H20ClN3O2 — CID 46558117

IUPAC5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C20H20ClN3O2/c1-12(2)19(25)23-16-5-3-4-13(8-16)11-22-20(26)18-10-14-9-15(21)6-7-17(14)24-18/h3-10,12,24H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKYCUEUHOJYKHLC-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.35
Rot. Bonds5

About 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide

5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 46558117) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID46558117
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C20H20ClN3O2/c1-12(2)19(25)23-16-5-3-4-13(8-16)11-22-20(26)18-10-14-9-15(21)6-7-17(14)24-18/h3-10,12,24H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKYCUEUHOJYKHLC-UHFFFAOYSA-N
XLogP4.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 38557691
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33013614
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide (CID 46558117) is 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide is CC(C)C(=O)Nc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is KYCUEUHOJYKHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12(2)19(25)23-16-5-3-4-13(8-16)11-22-20(26)18-10-14-9-15(21)6-7-17(14)24-18/h3-10,12,24H,11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide?
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46558117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).