1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide

C18H16FN3O2 — CID 83282725

IUPAC1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
SMILESCCn1c(C(N)=O)cc2cc(NC(=O)c3ccccc3F)ccc21
InChIInChI=1S/C18H16FN3O2/c1-2-22-15-8-7-12(9-11(15)10-16(22)17(20)23)21-18(24)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H2,20,23)(H,21,24)
InChIKeyUJSQQMCWCFAWLF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.15
Rot. Bonds4

About 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide

1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide (PubChem CID 83282725) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
PubChem CID83282725
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
SMILESCCn1c(C(N)=O)cc2cc(NC(=O)c3ccccc3F)ccc21
InChIInChI=1S/C18H16FN3O2/c1-2-22-15-8-7-12(9-11(15)10-16(22)17(20)23)21-18(24)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H2,20,23)(H,21,24)
InChIKeyUJSQQMCWCFAWLF-UHFFFAOYSA-N
XLogP3.15
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
1-ethyl-5-(propanoylamino)indole-2-carboxamide
CID 90488702
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
N-(3-carbamoyl-4-fluorophenyl)-1-ethyl-2-iodoindole-7-carboxamide
CID 174253642
N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide
CID 143608564
5-[(2-chlorobenzoyl)amino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282703
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
N-(1-ethyl-2-phenylindol-5-yl)-2-methoxybenzamide
CID 24760244
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide (CID 83282725) is 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide is CCn1c(C(N)=O)cc2cc(NC(=O)c3ccccc3F)ccc21.
What is the InChIKey of 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide?
The InChIKey is UJSQQMCWCFAWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-22-15-8-7-12(9-11(15)10-16(22)17(20)23)21-18(24)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide?
1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide is sourced from PubChem (CID 83282725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).