3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide

C14H12Cl2N2O2 — CID 122371137

IUPAC3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
SMILESCOc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-11-5-3-10(4-6-11)17-18-14(19)9-2-7-12(15)13(16)8-9/h2-8,17H,1H3,(H,18,19)
InChIKeyWBOKXAWMVSMIAI-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.76
Rot. Bonds4

About 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide

3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide (PubChem CID 122371137) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide.

Molecular Properties

Compound Name3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
PubChem CID122371137
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
SMILESCOc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-11-5-3-10(4-6-11)17-18-14(19)9-2-7-12(15)13(16)8-9/h2-8,17H,1H3,(H,18,19)
InChIKeyWBOKXAWMVSMIAI-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
1-[(3,4-dichlorobenzoyl)amino]-3-(3,5-dimethoxyphenyl)thiourea
CID 4535259
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide
CID 166593697
3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
(E)-3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 5408001
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[2-(3,4-dichloroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
CID 2729388

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide?
The IUPAC name of 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide (CID 122371137) is 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide.
What is the SMILES notation for 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide?
The canonical SMILES for 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide is COc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide?
The InChIKey is WBOKXAWMVSMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-11-5-3-10(4-6-11)17-18-14(19)9-2-7-12(15)13(16)8-9/h2-8,17H,1H3,(H,18,19).
What are the key properties of 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide?
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide has a molecular weight of 311.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide is sourced from PubChem (CID 122371137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).