3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride

C26H30ClF2N3O2 — CID 25139916

IUPAC3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2
InChIInChI=1S/C26H29F2N3O2.ClH/c27-19-5-8-24-18(13-19)9-12-30(24)10-1-2-11-31(15-17-3-4-17)20-14-22-21(26(29)32)6-7-23(28)25(22)33-16-20;/h5-9,12-13,17,20H,1-4,10-11,14-16H2,(H2,29,32);1H
InChIKeyUDXVMIBCMJXQEC-UHFFFAOYSA-N
MW489.99 g/mol
LogP4.94
Rot. Bonds9

About 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride

3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride (PubChem CID 25139916) has the molecular formula C26H30ClF2N3O2 and a molecular weight of 489.99 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
PubChem CID25139916
Molecular FormulaC26H30ClF2N3O2
Molecular Weight489.99 g/mol
Exact Mass489.20
IUPAC Name3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2
InChIInChI=1S/C26H29F2N3O2.ClH/c27-19-5-8-24-18(13-19)9-12-30(24)10-1-2-11-31(15-17-3-4-17)20-14-22-21(26(29)32)6-7-23(28)25(22)33-16-20;/h5-9,12-13,17,20H,1-4,10-11,14-16H2,(H2,29,32);1H
InChIKeyUDXVMIBCMJXQEC-UHFFFAOYSA-N
XLogP4.94
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.99
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
The IUPAC name of 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride (CID 25139916) is 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
The canonical SMILES for 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride is Cl.NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cc(F)ccc31)CC1CC1)CO2.
What is the InChIKey of 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
The InChIKey is UDXVMIBCMJXQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O2.ClH/c27-19-5-8-24-18(13-19)9-12-30(24)10-1-2-11-31(15-17-3-4-17)20-14-22-21(26(29)32)6-7-23(28)25(22)33-16-20;/h5-9,12-13,17,20H,1-4,10-11,14-16H2,(H2,29,32);1H.
What are the key properties of 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride has a molecular weight of 489.99 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride is sourced from PubChem (CID 25139916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).