3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide

C24H18ClN3O2 — CID 55962072

IUPAC3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c2ccccc21
InChIInChI=1S/C24H18ClN3O2/c1-28-21-11-3-2-10-20(21)22(25)23(28)24(29)27-18-8-5-9-19(13-18)30-15-17-7-4-6-16(12-17)14-26/h2-13H,15H2,1H3,(H,27,29)
InChIKeyLMAPEGAMKVJTHZ-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.53
Rot. Bonds5

About 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide

3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide (PubChem CID 55962072) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
PubChem CID55962072
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c2ccccc21
InChIInChI=1S/C24H18ClN3O2/c1-28-21-11-3-2-10-20(21)22(25)23(28)24(29)27-18-8-5-9-19(13-18)30-15-17-7-4-6-16(12-17)14-26/h2-13H,15H2,1H3,(H,27,29)
InChIKeyLMAPEGAMKVJTHZ-UHFFFAOYSA-N
XLogP5.53
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 39500037
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide (CID 55962072) is 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide?
The InChIKey is LMAPEGAMKVJTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-28-21-11-3-2-10-20(21)22(25)23(28)24(29)27-18-8-5-9-19(13-18)30-15-17-7-4-6-16(12-17)14-26/h2-13H,15H2,1H3,(H,27,29).
What are the key properties of 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide?
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 55962072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).