4-(4-chloroanilino)-2-methoxybenzohydrazide

C14H14ClN3O2 — CID 70030100

IUPAC4-(4-chloroanilino)-2-methoxybenzohydrazide
SMILESCOc1cc(Nc2ccc(Cl)cc2)ccc1C(=O)NN
InChIInChI=1S/C14H14ClN3O2/c1-20-13-8-11(6-7-12(13)14(19)18-16)17-10-4-2-9(15)3-5-10/h2-8,17H,16H2,1H3,(H,18,19)
InChIKeyFMLBTDNTJLFPOH-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.70
Rot. Bonds4

About 4-(4-chloroanilino)-2-methoxybenzohydrazide

4-(4-chloroanilino)-2-methoxybenzohydrazide (PubChem CID 70030100) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-(4-chloroanilino)-2-methoxybenzohydrazide.

Molecular Properties

Compound Name4-(4-chloroanilino)-2-methoxybenzohydrazide
PubChem CID70030100
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-(4-chloroanilino)-2-methoxybenzohydrazide
SMILESCOc1cc(Nc2ccc(Cl)cc2)ccc1C(=O)NN
InChIInChI=1S/C14H14ClN3O2/c1-20-13-8-11(6-7-12(13)14(19)18-16)17-10-4-2-9(15)3-5-10/h2-8,17H,16H2,1H3,(H,18,19)
InChIKeyFMLBTDNTJLFPOH-UHFFFAOYSA-N
XLogP2.70
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2R)-4-amino-2-[(4-chloro-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821307
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-chloro-N-[4-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 64794839
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
2-methoxybenzohydrazide
CID 24051
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
4-chloro-2-methoxybenzamide
CID 19741766
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-(2-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 82880967
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-2-methoxybenzohydrazide?
The IUPAC name of 4-(4-chloroanilino)-2-methoxybenzohydrazide (CID 70030100) is 4-(4-chloroanilino)-2-methoxybenzohydrazide.
What is the SMILES notation for 4-(4-chloroanilino)-2-methoxybenzohydrazide?
The canonical SMILES for 4-(4-chloroanilino)-2-methoxybenzohydrazide is COc1cc(Nc2ccc(Cl)cc2)ccc1C(=O)NN.
What is the InChIKey of 4-(4-chloroanilino)-2-methoxybenzohydrazide?
The InChIKey is FMLBTDNTJLFPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-13-8-11(6-7-12(13)14(19)18-16)17-10-4-2-9(15)3-5-10/h2-8,17H,16H2,1H3,(H,18,19).
What are the key properties of 4-(4-chloroanilino)-2-methoxybenzohydrazide?
4-(4-chloroanilino)-2-methoxybenzohydrazide has a molecular weight of 291.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-2-methoxybenzohydrazide is sourced from PubChem (CID 70030100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).