N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C24H15ClN2O2 — CID 134560454

IUPACN-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESClc1ccccc1Nc1ccc2c(c1)Oc1cccc3c1N2c1ccccc1O3
InChIInChI=1S/C24H15ClN2O2/c25-16-6-1-2-7-17(16)26-15-12-13-19-23(14-15)29-22-11-5-10-21-24(22)27(19)18-8-3-4-9-20(18)28-21/h1-14,26H
InChIKeyOCGRNCHYWLZIRC-UHFFFAOYSA-N
MW398.85 g/mol
LogP7.76
Rot. Bonds2

About N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 134560454) has the molecular formula C24H15ClN2O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID134560454
Molecular FormulaC24H15ClN2O2
Molecular Weight398.85 g/mol
Exact Mass398.08
IUPAC NameN-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESClc1ccccc1Nc1ccc2c(c1)Oc1cccc3c1N2c1ccccc1O3
InChIInChI=1S/C24H15ClN2O2/c25-16-6-1-2-7-17(16)26-15-12-13-19-23(14-15)29-22-11-5-10-21-24(22)27(19)18-8-3-4-9-20(18)28-21/h1-14,26H
InChIKeyOCGRNCHYWLZIRC-UHFFFAOYSA-N
XLogP7.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.85
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935
1'-(2-chloroanilino)-6'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139761193
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
4,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 163572005
N,10-diphenylphenoxazin-2-amine
CID 155429744
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
7-(2-chloroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 54529285
5-ethenyl-11-(5-ethenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 129291402
11-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(2-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(3-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162167397
2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139908252

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 134560454) is N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is Clc1ccccc1Nc1ccc2c(c1)Oc1cccc3c1N2c1ccccc1O3.
What is the InChIKey of N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is OCGRNCHYWLZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O2/c25-16-6-1-2-7-17(16)26-15-12-13-19-23(14-15)29-22-11-5-10-21-24(22)27(19)18-8-3-4-9-20(18)28-21/h1-14,26H.
What are the key properties of N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 398.85 g/mol, XLogP of 7.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 134560454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).