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

C16H13FN4O2 — CID 36852655

IUPACN-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C16H13FN4O2/c17-12-2-1-3-13-11(12)8-14(21-13)15(22)19-9-4-6-10(7-5-9)20-16(18)23/h1-8,21H,(H,19,22)(H3,18,20,23)
InChIKeyWAVJRKCGMGREKC-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.05
Rot. Bonds3

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

N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 36852655) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID36852655
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC NameN-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C16H13FN4O2/c17-12-2-1-3-13-11(12)8-14(21-13)15(22)19-9-4-6-10(7-5-9)20-16(18)23/h1-8,21H,(H,19,22)(H3,18,20,23)
InChIKeyWAVJRKCGMGREKC-UHFFFAOYSA-N
XLogP3.05
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736
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-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 171676565
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide (CID 36852655) is N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide is NC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is WAVJRKCGMGREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-12-2-1-3-13-11(12)8-14(21-13)15(22)19-9-4-6-10(7-5-9)20-16(18)23/h1-8,21H,(H,19,22)(H3,18,20,23).
What are the key properties of N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide?
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 36852655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).