3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide

C23H19FN4O2 — CID 11545848

IUPAC3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ccccc34)cc2)cc1F
InChIInChI=1S/C23H19FN4O2/c1-13-6-9-16(12-18(13)24)27-23(30)26-15-10-7-14(8-11-15)20-17-4-2-3-5-19(17)28-21(20)22(25)29/h2-12,28H,1H3,(H2,25,29)(H2,26,27,30)
InChIKeyBVFPAZNGNUKGQO-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.03
Rot. Bonds4

About 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide

3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide (PubChem CID 11545848) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide
PubChem CID11545848
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ccccc34)cc2)cc1F
InChIInChI=1S/C23H19FN4O2/c1-13-6-9-16(12-18(13)24)27-23(30)26-15-10-7-14(8-11-15)20-17-4-2-3-5-19(17)28-21(20)22(25)29/h2-12,28H,1H3,(H2,25,29)(H2,26,27,30)
InChIKeyBVFPAZNGNUKGQO-UHFFFAOYSA-N
XLogP5.03
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide (CID 11545848) is 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide is Cc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ccccc34)cc2)cc1F.
What is the InChIKey of 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is BVFPAZNGNUKGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-13-6-9-16(12-18(13)24)27-23(30)26-15-10-7-14(8-11-15)20-17-4-2-3-5-19(17)28-21(20)22(25)29/h2-12,28H,1H3,(H2,25,29)(H2,26,27,30).
What are the key properties of 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide?
3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11545848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).