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

C26H29F2N3O2 — CID 25139914

IUPAC3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2
InChIInChI=1S/C26H29F2N3O2/c27-22-4-3-5-24-20(22)10-13-30(24)11-1-2-12-31(15-17-6-7-17)18-14-21-19(26(29)32)8-9-23(28)25(21)33-16-18/h3-5,8-10,13,17-18H,1-2,6-7,11-12,14-16H2,(H2,29,32)
InChIKeyRGWFYUYDDNFMLT-UHFFFAOYSA-N
MW453.53 g/mol
LogP4.51
Rot. Bonds9

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

3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 25139914) has the molecular formula C26H29F2N3O2 and a molecular weight of 453.53 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID25139914
Molecular FormulaC26H29F2N3O2
Molecular Weight453.53 g/mol
Exact Mass453.22
IUPAC Name3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2
InChIInChI=1S/C26H29F2N3O2/c27-22-4-3-5-24-20(22)10-13-30(24)11-1-2-12-31(15-17-6-7-17)18-14-21-19(26(29)32)8-9-23(28)25(21)33-16-18/h3-5,8-10,13,17-18H,1-2,6-7,11-12,14-16H2,(H2,29,32)
InChIKeyRGWFYUYDDNFMLT-UHFFFAOYSA-N
XLogP4.51
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 54.51
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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Related Compounds

3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139916
3-[cyclobutyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139066
3-[cyclopropylmethyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11845817
3-[3-(5-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69439125
3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 160521794
8-fluoro-3-(4-indol-1-ylbutylamino)-3,4-dihydro-2H-chromene-5-carboxamide
CID 11326500
3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11259845
3-[ethyl-[4-(7-methoxy-1-benzofuran-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69428548
3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69426612
3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 22118799
3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69437957
3-[cyclobutyl-[4-(7-methoxy-1-benzofuran-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69426695

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 25139914) is 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)CC1CC1)CO2.
What is the InChIKey of 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is RGWFYUYDDNFMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O2/c27-22-4-3-5-24-20(22)10-13-30(24)11-1-2-12-31(15-17-6-7-17)18-14-21-19(26(29)32)8-9-23(28)25(21)33-16-18/h3-5,8-10,13,17-18H,1-2,6-7,11-12,14-16H2,(H2,29,32).
What are the key properties of 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 25139914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).