5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide

C17H12ClF2N3O2 — CID 38631225

IUPAC5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H12ClF2N3O2/c18-10-1-4-14-9(5-10)6-15(23-14)17(25)21-8-16(24)22-11-2-3-12(19)13(20)7-11/h1-7,23H,8H2,(H,21,25)(H,22,24)
InChIKeyUYLGRDWMAADNIE-UHFFFAOYSA-N
MW363.75 g/mol
LogP3.47
Rot. Bonds4

About 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 38631225) has the molecular formula C17H12ClF2N3O2 and a molecular weight of 363.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID38631225
Molecular FormulaC17H12ClF2N3O2
Molecular Weight363.75 g/mol
Exact Mass363.06
IUPAC Name5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H12ClF2N3O2/c18-10-1-4-14-9(5-10)6-15(23-14)17(25)21-8-16(24)22-11-2-3-12(19)13(20)7-11/h1-7,23H,8H2,(H,21,25)(H,22,24)
InChIKeyUYLGRDWMAADNIE-UHFFFAOYSA-N
XLogP3.47
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.75
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide (CID 38631225) is 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide is O=C(CNC(=O)c1cc2cc(Cl)ccc2[nH]1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is UYLGRDWMAADNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2/c18-10-1-4-14-9(5-10)6-15(23-14)17(25)21-8-16(24)22-11-2-3-12(19)13(20)7-11/h1-7,23H,8H2,(H,21,25)(H,22,24).
What are the key properties of 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 363.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 38631225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).