N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide

C17H16ClN5O — CID 57397519

IUPACN'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C
InChIInChI=1S/C17H16ClN5O/c1-11(24)20-21-17-19-15-9-8-13(18)10-14(15)16(22-23(17)2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,21)(H,20,24)
InChIKeySMNCMWPHYVMAAA-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.67
Rot. Bonds1

About N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide

N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide (PubChem CID 57397519) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide
PubChem CID57397519
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C
InChIInChI=1S/C17H16ClN5O/c1-11(24)20-21-17-19-15-9-8-13(18)10-14(15)16(22-23(17)2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,21)(H,20,24)
InChIKeySMNCMWPHYVMAAA-UHFFFAOYSA-N
XLogP2.67
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[(E)-furan-2-ylmethylideneamino]-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-amine
CID 177404599
N'-(7-chloro-5-phenyl-3H-1,3,4-benzotriazepin-2-yl)benzohydrazide
CID 136794981
N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide;hydrate
CID 134106760
N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-3-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 86734568
[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-phenylcarbamate
CID 12785863
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]acetamide
CID 6163012
N-(7-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-2-yl)acetamide
CID 23638157
7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol
CID 12612536
(2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 21441652
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;N,N-dimethylacetamide
CID 70378031
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide?
The IUPAC name of N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide (CID 57397519) is N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide?
The canonical SMILES for N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide is CC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C.
What is the InChIKey of N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide?
The InChIKey is SMNCMWPHYVMAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11(24)20-21-17-19-15-9-8-13(18)10-14(15)16(22-23(17)2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,21)(H,20,24).
What are the key properties of N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide?
N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide has a molecular weight of 341.80 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepin-2-yl)acetohydrazide is sourced from PubChem (CID 57397519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).