N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide

C16H21FN2O2 — CID 82175025

IUPACN-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
SMILESCCC(N)c1cc(F)c2c(c1)C(NC(=O)C1CC1)CCO2
InChIInChI=1S/C16H21FN2O2/c1-2-13(18)10-7-11-14(19-16(20)9-3-4-9)5-6-21-15(11)12(17)8-10/h7-9,13-14H,2-6,18H2,1H3,(H,19,20)
InChIKeyNAGZWZLQHLBUJW-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.59
Rot. Bonds4

About N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide

N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide (PubChem CID 82175025) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
PubChem CID82175025
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
SMILESCCC(N)c1cc(F)c2c(c1)C(NC(=O)C1CC1)CCO2
InChIInChI=1S/C16H21FN2O2/c1-2-13(18)10-7-11-14(19-16(20)9-3-4-9)5-6-21-15(11)12(17)8-10/h7-9,13-14H,2-6,18H2,1H3,(H,19,20)
InChIKeyNAGZWZLQHLBUJW-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-{1-[3-(ethoxymethyl)-4-methoxybenzyl]piperidin-4-yl}propanamide
CID 23723641
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2-fluoro-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 71814501
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-difluoropropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 71814502
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopropane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 73355107
[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]-[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]azanium
CID 78225180
(2S)-2-amino-N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]propanamide;hydrochloride
CID 155541365
4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide
CID 2792818
4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide
CID 44607267
N-(2,6-dimethyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464684
N-(6-methyl-2-propyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464903
N-(2-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464905
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide
CID 71970609

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide (CID 82175025) is N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide is CCC(N)c1cc(F)c2c(c1)C(NC(=O)C1CC1)CCO2.
What is the InChIKey of N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
The InChIKey is NAGZWZLQHLBUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-13(18)10-7-11-14(19-16(20)9-3-4-9)5-6-21-15(11)12(17)8-10/h7-9,13-14H,2-6,18H2,1H3,(H,19,20).
What are the key properties of N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide?
N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 82175025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).