4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide

C16H13BrN4O2 — CID 78782359

IUPAC4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide
SMILESN#Cc1ccc(NCC(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN4O2/c17-13-5-3-12(4-6-13)16(23)21-20-15(22)10-19-14-7-1-11(9-18)2-8-14/h1-8,19H,10H2,(H,20,22)(H,21,23)
InChIKeyUHKTYPYPNDOJBH-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.19
Rot. Bonds4

About 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide

4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide (PubChem CID 78782359) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide
PubChem CID78782359
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide
SMILESN#Cc1ccc(NCC(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN4O2/c17-13-5-3-12(4-6-13)16(23)21-20-15(22)10-19-14-7-1-11(9-18)2-8-14/h1-8,19H,10H2,(H,20,22)(H,21,23)
InChIKeyUHKTYPYPNDOJBH-UHFFFAOYSA-N
XLogP2.19
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
4-bromo-N-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]benzamide
CID 2448257
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide (CID 78782359) is 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide is N#Cc1ccc(NCC(=O)NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide?
The InChIKey is UHKTYPYPNDOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-13-5-3-12(4-6-13)16(23)21-20-15(22)10-19-14-7-1-11(9-18)2-8-14/h1-8,19H,10H2,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide?
4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide has a molecular weight of 373.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide is sourced from PubChem (CID 78782359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).