4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide

C19H19FN4O2 — CID 36865190

IUPAC4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C19H19FN4O2/c1-11(2)21-19(26)23-13-8-6-12(7-9-13)22-18(25)17-10-14-15(20)4-3-5-16(14)24-17/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyQVIOFBTWWPEKKR-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.09
Rot. Bonds4

About 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide

4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 36865190) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID36865190
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C19H19FN4O2/c1-11(2)21-19(26)23-13-8-6-12(7-9-13)22-18(25)17-10-14-15(20)4-3-5-16(14)24-17/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyQVIOFBTWWPEKKR-UHFFFAOYSA-N
XLogP4.09
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 171676565
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
CID 55843504
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
CID 36805707
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (CID 36865190) is 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is QVIOFBTWWPEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11(2)21-19(26)23-13-8-6-12(7-9-13)22-18(25)17-10-14-15(20)4-3-5-16(14)24-17/h3-11,24H,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 36865190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).