3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide

C14H15N5O2 — CID 70419755

IUPAC3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide
SMILESNNC(=O)c1c(N)cccc1C(=O)N(N)c1ccccc1
InChIInChI=1S/C14H15N5O2/c15-11-8-4-7-10(12(11)13(20)18-16)14(21)19(17)9-5-2-1-3-6-9/h1-8H,15-17H2,(H,18,20)
InChIKeyYIXRLWZKDHAVKE-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide

3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide (PubChem CID 70419755) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide.

Molecular Properties

Compound Name3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide
PubChem CID70419755
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide
SMILESNNC(=O)c1c(N)cccc1C(=O)N(N)c1ccccc1
InChIInChI=1S/C14H15N5O2/c15-11-8-4-7-10(12(11)13(20)18-16)14(21)19(17)9-5-2-1-3-6-9/h1-8H,15-17H2,(H,18,20)
InChIKeyYIXRLWZKDHAVKE-UHFFFAOYSA-N
XLogP0.39
TPSA127.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-diaminobenzohydrazide
CID 54556928
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-hydroxy-1-N-phenylpropanedihydrazide
CID 54413641
2-N-[2-[amino-[2-(hydrazinecarbonyl)benzoyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarbohydrazide
CID 54222094
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2-amino-N-carbamoyl-N-phenylbenzamide
CID 175153164
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
3-amino-2-[(2,6-dimethylphenyl)methylcarbamoylcarbamoyl]benzoic acid
CID 142955410
anthracene-9,10-dicarbohydrazide
CID 139611931
2-aminobenzoic acid;azane
CID 21425790

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide?
The IUPAC name of 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide (CID 70419755) is 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide.
What is the SMILES notation for 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide?
The canonical SMILES for 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide is NNC(=O)c1c(N)cccc1C(=O)N(N)c1ccccc1.
What is the InChIKey of 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide?
The InChIKey is YIXRLWZKDHAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-11-8-4-7-10(12(11)13(20)18-16)14(21)19(17)9-5-2-1-3-6-9/h1-8H,15-17H2,(H,18,20).
What are the key properties of 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide?
3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide has a molecular weight of 285.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide is sourced from PubChem (CID 70419755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).