4-amino-N'-(4-chlorobenzoyl)benzohydrazide

C14H12ClN3O2 — CID 785216

IUPAC4-amino-N'-(4-chlorobenzoyl)benzohydrazide
SMILESNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKeyMPRKIYOIZXMWLL-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.00
Rot. Bonds2

About 4-amino-N'-(4-chlorobenzoyl)benzohydrazide

4-amino-N'-(4-chlorobenzoyl)benzohydrazide (PubChem CID 785216) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-amino-N'-(4-chlorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-amino-N'-(4-chlorobenzoyl)benzohydrazide
PubChem CID785216
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name4-amino-N'-(4-chlorobenzoyl)benzohydrazide
SMILESNc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKeyMPRKIYOIZXMWLL-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-aminobenzoyl)amino]-3-(4-chlorophenyl)thiourea
CID 125468827
[(4-aminobenzoyl)amino]carbamic acid
CID 175797538
N'-acetyl-4-chlorobenzohydrazide
CID 799230
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(4-chlorobenzoyl)benzohydrazide?
The IUPAC name of 4-amino-N'-(4-chlorobenzoyl)benzohydrazide (CID 785216) is 4-amino-N'-(4-chlorobenzoyl)benzohydrazide.
What is the SMILES notation for 4-amino-N'-(4-chlorobenzoyl)benzohydrazide?
The canonical SMILES for 4-amino-N'-(4-chlorobenzoyl)benzohydrazide is Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-amino-N'-(4-chlorobenzoyl)benzohydrazide?
The InChIKey is MPRKIYOIZXMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(16)8-4-10/h1-8H,16H2,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N'-(4-chlorobenzoyl)benzohydrazide?
4-amino-N'-(4-chlorobenzoyl)benzohydrazide has a molecular weight of 289.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(4-chlorobenzoyl)benzohydrazide is sourced from PubChem (CID 785216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).