N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide

C19H16FN3O2 — CID 31401736

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C19H16FN3O2/c20-15-5-2-6-16-14(15)10-17(23-16)19(25)22-13-4-1-3-11(9-13)18(24)21-12-7-8-12/h1-6,9-10,12,23H,7-8H2,(H,21,24)(H,22,25)
InChIKeyWRFZICHMFLEGDM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.45
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 31401736) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID31401736
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C19H16FN3O2/c20-15-5-2-6-16-14(15)10-17(23-16)19(25)22-13-4-1-3-11(9-13)18(24)21-12-7-8-12/h1-6,9-10,12,23H,7-8H2,(H,21,24)(H,22,25)
InChIKeyWRFZICHMFLEGDM-UHFFFAOYSA-N
XLogP3.45
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 47151029
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide
CID 56807656
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide (CID 31401736) is N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is WRFZICHMFLEGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-5-2-6-16-14(15)10-17(23-16)19(25)22-13-4-1-3-11(9-13)18(24)21-12-7-8-12/h1-6,9-10,12,23H,7-8H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 31401736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).