2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile

C20H12Cl2N2O — CID 134876103

IUPAC2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O/c21-12-7-5-11(6-8-12)18-15-9-17(22)13-3-1-2-4-14(13)19(15)25-20(24)16(18)10-23/h1-9,18H,24H2
InChIKeyZNZNDJHEQVTQMZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.36
Rot. Bonds1

About 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile

2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 134876103) has the molecular formula C20H12Cl2N2O and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID134876103
Molecular FormulaC20H12Cl2N2O
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O/c21-12-7-5-11(6-8-12)18-15-9-17(22)13-3-1-2-4-14(13)19(15)25-20(24)16(18)10-23/h1-9,18H,24H2
InChIKeyZNZNDJHEQVTQMZ-UHFFFAOYSA-N
XLogP5.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile
CID 53396579
2-amino-6-chloro-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155522378
2-amino-6-chloro-4-(3-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155511994
(4R)-2-amino-6-chloro-4-(3,4,5-trimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1025854
ethyl (1E)-N-[6-chloro-4-(4-chlorophenyl)-3-cyano-4H-benzo[h]chromen-2-yl]methanimidate
CID 10884358
6-chloro-4-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]-4H-benzo[h]chromene-3-carbonitrile
CID 11812898
2-[(E)-benzylideneamino]-4-(4-bromophenyl)-6-chloro-4H-benzo[h]chromene-3-carbonitrile
CID 11827205
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1379850
(8S)-6-amino-8-(4-chlorophenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 752464
2-amino-4-(4-chlorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 3898306
(1S)-3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 818621
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile (CID 134876103) is 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is ZNZNDJHEQVTQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O/c21-12-7-5-11(6-8-12)18-15-9-17(22)13-3-1-2-4-14(13)19(15)25-20(24)16(18)10-23/h1-9,18H,24H2.
What are the key properties of 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile?
2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 367.24 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 134876103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).