ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate

C18H16FN3O3 — CID 60515778

IUPACethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C18H16FN3O3/c1-2-25-18(24)21-14-6-4-13(5-7-14)20-17(23)16-10-11-9-12(19)3-8-15(11)22-16/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyIQQABKORFTXNMI-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.13
Rot. Bonds4

About ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate

ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate (PubChem CID 60515778) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
PubChem CID60515778
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Nameethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C18H16FN3O3/c1-2-25-18(24)21-14-6-4-13(5-7-14)20-17(23)16-10-11-9-12(19)3-8-15(11)22-16/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)
InChIKeyIQQABKORFTXNMI-UHFFFAOYSA-N
XLogP4.13
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate (CID 60515778) is ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
The InChIKey is IQQABKORFTXNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-25-18(24)21-14-6-4-13(5-7-14)20-17(23)16-10-11-9-12(19)3-8-15(11)22-16/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate?
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate has a molecular weight of 341.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 60515778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).