3-iodo-N'-(4-methylbenzoyl)benzohydrazide

C15H13IN2O2 — CID 1127160

IUPAC3-iodo-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H13IN2O2/c1-10-5-7-11(8-6-10)14(19)17-18-15(20)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyMRPYLCHXCAYKQG-UHFFFAOYSA-N
MW380.19 g/mol
LogP2.67
Rot. Bonds2

About 3-iodo-N'-(4-methylbenzoyl)benzohydrazide

3-iodo-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 1127160) has the molecular formula C15H13IN2O2 and a molecular weight of 380.19 g/mol. Its IUPAC name is 3-iodo-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-iodo-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID1127160
Molecular FormulaC15H13IN2O2
Molecular Weight380.19 g/mol
Exact Mass380.00
IUPAC Name3-iodo-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H13IN2O2/c1-10-5-7-11(8-6-10)14(19)17-18-15(20)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyMRPYLCHXCAYKQG-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
CID 1035001
N'-(3-iodobenzoyl)pyridine-4-carbohydrazide
CID 3280219
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
2-iodo-N'-(3-iodobenzoyl)benzohydrazide
CID 4236537
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
2-[[(3-iodobenzoyl)amino]carbamoyl]benzoate
CID 6972064
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
1-(3-iodophenyl)-2-[4-[2-(3-iodophenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione
CID 2850310

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 3-iodo-N'-(4-methylbenzoyl)benzohydrazide (CID 1127160) is 3-iodo-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-iodo-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 3-iodo-N'-(4-methylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of 3-iodo-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is MRPYLCHXCAYKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O2/c1-10-5-7-11(8-6-10)14(19)17-18-15(20)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-iodo-N'-(4-methylbenzoyl)benzohydrazide?
3-iodo-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 380.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 1127160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).