3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

C17H23FN2O2 — CID 22118799

IUPAC3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCC(C)N(C1CCC1)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C17H23FN2O2/c1-10(2)20(11-4-3-5-11)12-8-14-13(17(19)21)6-7-15(18)16(14)22-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,19,21)
InChIKeyAOSCUPVQGZCMHA-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.49
Rot. Bonds4

About 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 22118799) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID22118799
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCC(C)N(C1CCC1)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C17H23FN2O2/c1-10(2)20(11-4-3-5-11)12-8-14-13(17(19)21)6-7-15(18)16(14)22-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,19,21)
InChIKeyAOSCUPVQGZCMHA-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate
CID 70140889
3-[cyclobutyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139066
3-[cyclobutyl-[4-(7-methoxy-1-benzofuran-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69426695
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
(3S)-3-[3-(5-cyano-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25138744
(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
CID 54552478
(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 67703406
3-[3-(5-chloro-1H-indol-3-yl)propyl-ethylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69437957
3-[cyclopropylmethyl-[4-(4-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139914
3-[cyclopropylmethyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11845817
3-[cyclopropylmethyl-[4-(5-fluoroindol-1-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139916
3-[3-(5-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69439125

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 22118799) is 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is CC(C)N(C1CCC1)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is AOSCUPVQGZCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-10(2)20(11-4-3-5-11)12-8-14-13(17(19)21)6-7-15(18)16(14)22-9-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,19,21).
What are the key properties of 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(propan-2-yl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 22118799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).