(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride

C17H26ClFN2O2 — CID 67703406

IUPAC(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
SMILESCCCN(CCC)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-4-8-20(9-5-2)12-10-14-13(17(21)19-3)6-7-15(18)16(14)22-11-12;/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,21);1H/t12-;/m1./s1
InChIKeyQMCYEVJCKHISKS-UTONKHPSSA-N
MW344.86 g/mol
LogP3.03
Rot. Bonds6

About (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride

(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride (PubChem CID 67703406) has the molecular formula C17H26ClFN2O2 and a molecular weight of 344.86 g/mol. Its IUPAC name is (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
PubChem CID67703406
Molecular FormulaC17H26ClFN2O2
Molecular Weight344.86 g/mol
Exact Mass344.17
IUPAC Name(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
SMILESCCCN(CCC)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1.Cl
InChIInChI=1S/C17H25FN2O2.ClH/c1-4-8-20(9-5-2)12-10-14-13(17(21)19-3)6-7-15(18)16(14)22-11-12;/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,21);1H/t12-;/m1./s1
InChIKeyQMCYEVJCKHISKS-UTONKHPSSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12016890
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
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(3H)robalzotan
CID 10591800
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CID 10319624
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CID 10504531
(3R)-3-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
CID 10672033
(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 10709505
(R)-3-(Cyclopentyl(propyl)amino)-N-methylchromane-5-carboxamide
CID 10757809

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
The IUPAC name of (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride (CID 67703406) is (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
The canonical SMILES for (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride is CCCN(CCC)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1.Cl.
What is the InChIKey of (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
The InChIKey is QMCYEVJCKHISKS-UTONKHPSSA-N. The full InChI is InChI=1S/C17H25FN2O2.ClH/c1-4-8-20(9-5-2)12-10-14-13(17(21)19-3)6-7-15(18)16(14)22-11-12;/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,21);1H/t12-;/m1./s1.
What are the key properties of (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride?
(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride is sourced from PubChem (CID 67703406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).