9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole

C18H13ClFN3 — CID 144862106

IUPAC9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole
SMILESC=C1CN=C(c2ccccc2F)c2[nH]c3ccc(Cl)cc3c2N1
InChIInChI=1S/C18H13ClFN3/c1-10-9-21-16(12-4-2-3-5-14(12)20)18-17(22-10)13-8-11(19)6-7-15(13)23-18/h2-8,22-23H,1,9H2
InChIKeyNIZFNCSUHFXJIE-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.74
Rot. Bonds1

About 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole

9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole (PubChem CID 144862106) has the molecular formula C18H13ClFN3 and a molecular weight of 325.77 g/mol. Its IUPAC name is 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole.

Molecular Properties

Compound Name9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole
PubChem CID144862106
Molecular FormulaC18H13ClFN3
Molecular Weight325.77 g/mol
Exact Mass325.08
IUPAC Name9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole
SMILESC=C1CN=C(c2ccccc2F)c2[nH]c3ccc(Cl)cc3c2N1
InChIInChI=1S/C18H13ClFN3/c1-10-9-21-16(12-4-2-3-5-14(12)20)18-17(22-10)13-8-11(19)6-7-15(13)23-18/h2-8,22-23H,1,9H2
InChIKeyNIZFNCSUHFXJIE-UHFFFAOYSA-N
XLogP4.74
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-9-methyl-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155764
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
9-chloro-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one;ethane
CID 144862133
8-chloro-6-(2-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][2]benzazepine
CID 21431654
2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetic acid
CID 70572292
3-amino-6-chloro-4-(2-fluorophenyl)-1H-quinolin-2-one
CID 44561344
7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 21265972
8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 5136482
7-chloro-5-(2-fluorophenyl)-N-hydroxy-N'-methyl-3H-1,4-benzodiazepine-2-carboximidamide
CID 135746731
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 141461619
6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one
CID 135712882
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 10359044

Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole?
The IUPAC name of 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole (CID 144862106) is 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole.
What is the SMILES notation for 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole?
The canonical SMILES for 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole is C=C1CN=C(c2ccccc2F)c2[nH]c3ccc(Cl)cc3c2N1.
What is the InChIKey of 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole?
The InChIKey is NIZFNCSUHFXJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3/c1-10-9-21-16(12-4-2-3-5-14(12)20)18-17(22-10)13-8-11(19)6-7-15(13)23-18/h2-8,22-23H,1,9H2.
What are the key properties of 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole?
9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole has a molecular weight of 325.77 g/mol, XLogP of 4.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole is sourced from PubChem (CID 144862106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).