7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine

C15H10ClF2N3 — CID 175560635

IUPAC7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(Cl)cc2C(c2cccc(F)c2F)=NC1
InChIInChI=1S/C15H10ClF2N3/c16-8-4-5-12-10(6-8)15(20-7-13(19)21-12)9-2-1-3-11(17)14(9)18/h1-6H,7H2,(H2,19,21)
InChIKeySYDIPUZECTYHLB-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.46
Rot. Bonds1

About 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine

7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine (PubChem CID 175560635) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine
PubChem CID175560635
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(Cl)cc2C(c2cccc(F)c2F)=NC1
InChIInChI=1S/C15H10ClF2N3/c16-8-4-5-12-10(6-8)15(20-7-13(19)21-12)9-2-1-3-11(17)14(9)18/h1-6H,7H2,(H2,19,21)
InChIKeySYDIPUZECTYHLB-UHFFFAOYSA-N
XLogP3.46
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 21265972
5-(2-bromophenyl)-7-chloro-3H-1,4-benzodiazepin-2-amine
CID 15079733
7-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
CID 22153716
1-[2-amino-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-7-yl]ethanone
CID 67730065
5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-amine
CID 21266006
7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine
CID 22153689
7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-1,4-benzodiazepine
CID 12947075
8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
CID 176552131
7-chloro-5-(2-fluorophenyl)-N-hydroxy-N'-methyl-3H-1,4-benzodiazepine-2-carboximidamide
CID 135746731
6-chloro-4-methylidene-3H-quinolin-2-amine
CID 89259359
N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide;hydrate
CID 134106760
7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
CID 110181250

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine (CID 175560635) is 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccc(Cl)cc2C(c2cccc(F)c2F)=NC1.
What is the InChIKey of 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The InChIKey is SYDIPUZECTYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c16-8-4-5-12-10(6-8)15(20-7-13(19)21-12)9-2-1-3-11(17)14(9)18/h1-6H,7H2,(H2,19,21).
What are the key properties of 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine?
7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine has a molecular weight of 305.72 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,3-difluorophenyl)-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 175560635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).