(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile

C22H16FN3O — CID 1006176

IUPAC(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@H]1c1ccccc1F
InChIInChI=1S/C22H16FN3O/c23-19-9-5-4-8-16(19)21-17-11-10-15(26-14-6-2-1-3-7-14)12-20(17)27-22(25)18(21)13-24/h1-12,21,26H,25H2/t21-/m1/s1
InChIKeyAXDGYBQDORLRBC-OAQYLSRUSA-N
MW357.39 g/mol
LogP4.79
Rot. Bonds3

About (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile

(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile (PubChem CID 1006176) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
PubChem CID1006176
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@H]1c1ccccc1F
InChIInChI=1S/C22H16FN3O/c23-19-9-5-4-8-16(19)21-17-11-10-15(26-14-6-2-1-3-7-14)12-20(17)27-22(25)18(21)13-24/h1-12,21,26H,25H2/t21-/m1/s1
InChIKeyAXDGYBQDORLRBC-OAQYLSRUSA-N
XLogP4.79
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2,6-diamino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
CID 902357
(4S)-2-amino-6-chloro-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 791387
2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile;morpholin-4-ium
CID 126957949
(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 2303203
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460
2-amino-4-(2,6-difluorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 16762776
[2-amino-3-cyano-4-(2-fluorophenyl)-4H-chromen-7-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 19128268
[2-amino-3-cyano-4-(2-fluorophenyl)-4H-chromen-7-yl] (E)-3-(4-tert-butylphenyl)prop-2-enoate
CID 19121856
[2-amino-3-cyano-4-(2-fluorophenyl)-4H-chromen-7-yl] 2-oxochromene-3-carboxylate
CID 19128273
(8S)-6-amino-8-(2,6-difluorophenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 97037143
(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 8613693
(4S)-2-amino-4-(2-bromophenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 8613713

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile (CID 1006176) is (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2[C@H]1c1ccccc1F.
What is the InChIKey of (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile?
The InChIKey is AXDGYBQDORLRBC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-19-9-5-4-8-16(19)21-17-11-10-15(26-14-6-2-1-3-7-14)12-20(17)27-22(25)18(21)13-24/h1-12,21,26H,25H2/t21-/m1/s1.
What are the key properties of (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile?
(4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile has a molecular weight of 357.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7-anilino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 1006176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).