3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide

C19H19FN4O2 — CID 166229477

IUPAC3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)Nc2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C19H19FN4O2/c1-12-2-3-14(10-16(12)20)18(25)22-8-9-23-19(26)24-15-5-4-13-6-7-21-17(13)11-15/h2-7,10-11,21H,8-9H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyHPLUKSURERFLQS-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.17
Rot. Bonds5

About 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide

3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide (PubChem CID 166229477) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide
PubChem CID166229477
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)Nc2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C19H19FN4O2/c1-12-2-3-14(10-16(12)20)18(25)22-8-9-23-19(26)24-15-5-4-13-6-7-21-17(13)11-15/h2-7,10-11,21H,8-9H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyHPLUKSURERFLQS-UHFFFAOYSA-N
XLogP3.17
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
CID 155411868
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide (CID 166229477) is 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)Nc2ccc3cc[nH]c3c2)cc1F.
What is the InChIKey of 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide?
The InChIKey is HPLUKSURERFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-2-3-14(10-16(12)20)18(25)22-8-9-23-19(26)24-15-5-4-13-6-7-21-17(13)11-15/h2-7,10-11,21H,8-9H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide?
3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide has a molecular weight of 354.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 166229477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).