3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H21FN2O2 — CID 167845509

IUPAC3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNc1cc2c(cc1C(=O)N[C@@H]1CCOc3c(F)cccc31)CCCC2
InChIInChI=1S/C20H21FN2O2/c21-16-7-3-6-14-18(8-9-25-19(14)16)23-20(24)15-10-12-4-1-2-5-13(12)11-17(15)22/h3,6-7,10-11,18H,1-2,4-5,8-9,22H2,(H,23,24)/t18-/m1/s1
InChIKeyANEJXZAXZKJMOT-GOSISDBHSA-N
MW340.40 g/mol
LogP3.54
Rot. Bonds2

About 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 167845509) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID167845509
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNc1cc2c(cc1C(=O)N[C@@H]1CCOc3c(F)cccc31)CCCC2
InChIInChI=1S/C20H21FN2O2/c21-16-7-3-6-14-18(8-9-25-19(14)16)23-20(24)15-10-12-4-1-2-5-13(12)11-17(15)22/h3,6-7,10-11,18H,1-2,4-5,8-9,22H2,(H,23,24)/t18-/m1/s1
InChIKeyANEJXZAXZKJMOT-GOSISDBHSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 124621007
5-(difluoromethyl)-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042946
1-tert-butyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5-methylpyrazole-3-carboxamide
CID 124621011
4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
CID 120936384
N-[(5R)-9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124860896
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
(2R)-2-amino-N-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 120874231
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 124621017
1-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-(2-hydroxycyclohexyl)urea
CID 110013261
2-amino-N-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
CID 110480640
4-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674707
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 97256231

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 167845509) is 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Nc1cc2c(cc1C(=O)N[C@@H]1CCOc3c(F)cccc31)CCCC2.
What is the InChIKey of 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ANEJXZAXZKJMOT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-7-3-6-14-18(8-9-25-19(14)16)23-20(24)15-10-12-4-1-2-5-13(12)11-17(15)22/h3,6-7,10-11,18H,1-2,4-5,8-9,22H2,(H,23,24)/t18-/m1/s1.
What are the key properties of 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 167845509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).