(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile

C20H13FN2O — CID 2303203

IUPAC(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1F
InChIInChI=1S/C20H13FN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-10,18H,23H2/t18-/m1/s1
InChIKeyMKFPLLMYQADGKH-GOSISDBHSA-N
MW316.34 g/mol
LogP4.20
Rot. Bonds1

About (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile

(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 2303203) has the molecular formula C20H13FN2O and a molecular weight of 316.34 g/mol. Its IUPAC name is (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID2303203
Molecular FormulaC20H13FN2O
Molecular Weight316.34 g/mol
Exact Mass316.10
IUPAC Name(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1F
InChIInChI=1S/C20H13FN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-10,18H,23H2/t18-/m1/s1
InChIKeyMKFPLLMYQADGKH-GOSISDBHSA-N
XLogP4.20
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-bromophenyl)-4H-benzo[h]chromene-3-carbonitrile;2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile;2-amino-4-(4-propan-2-ylphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 159425156
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1379850
(4R)-2-amino-4-(2,3-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1378092
2-amino-4-(2-ethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 2840046
(4R)-2-amino-4-(2-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 40548919
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4S)-2-amino-4-propan-2-yl-4H-benzo[h]chromene-3-carbonitrile
CID 124891273
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 3296979
2-amino-4-[3-(trifluoromethoxy)phenyl]-4H-benzo[h]chromene-3-carbonitrile
CID 19101000
2-amino-4-(6-methyl-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 155813506
(4R)-2-amino-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
CID 1135142

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile (CID 2303203) is (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1F.
What is the InChIKey of (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is MKFPLLMYQADGKH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H13FN2O/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-10,18H,23H2/t18-/m1/s1.
What are the key properties of (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 316.34 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 2303203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).