N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide

C19H18FN3O2 — CID 46415642

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C19H18FN3O2/c1-23(2)19(25)13-5-3-4-12(8-13)11-21-18(24)17-10-14-9-15(20)6-7-16(14)22-17/h3-10,22H,11H2,1-2H3,(H,21,24)
InChIKeyKKYIZGYUWBTNKU-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.94
Rot. Bonds4

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

N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 46415642) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID46415642
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C19H18FN3O2/c1-23(2)19(25)13-5-3-4-12(8-13)11-21-18(24)17-10-14-9-15(20)6-7-16(14)22-17/h3-10,22H,11H2,1-2H3,(H,21,24)
InChIKeyKKYIZGYUWBTNKU-UHFFFAOYSA-N
XLogP2.94
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 91779909
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 21014406
5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 59557997
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide (CID 46415642) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide is CN(C)C(=O)c1cccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is KKYIZGYUWBTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23(2)19(25)13-5-3-4-12(8-13)11-21-18(24)17-10-14-9-15(20)6-7-16(14)22-17/h3-10,22H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 46415642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).