3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

C14H12ClN3O2 — CID 25219116

IUPAC3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
SMILESNNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13(19)17-12-6-4-9(5-7-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKeyYQIWMXBIDXHIHN-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.20
Rot. Bonds3

About 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide (PubChem CID 25219116) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
PubChem CID25219116
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
SMILESNNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13(19)17-12-6-4-9(5-7-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKeyYQIWMXBIDXHIHN-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chlorobenzohydrazide;bis(formonitrile)
CID 175536479
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4940345

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide (CID 25219116) is 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide is NNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide?
The InChIKey is YQIWMXBIDXHIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-3-1-2-10(8-11)13(19)17-12-6-4-9(5-7-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide?
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide has a molecular weight of 289.72 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide is sourced from PubChem (CID 25219116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).