4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide

C14H15ClN4O2 — CID 143165536

IUPAC4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)c(NN)c2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-21-13-5-3-9(7-10(13)15)18-14(20)8-2-4-11(16)12(6-8)19-17/h2-7,19H,16-17H2,1H3,(H,18,20)
InChIKeyBHSUYTALRABQQV-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide

4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide (PubChem CID 143165536) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
PubChem CID143165536
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)c(NN)c2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-21-13-5-3-9(7-10(13)15)18-14(20)8-2-4-11(16)12(6-8)19-17/h2-7,19H,16-17H2,1H3,(H,18,20)
InChIKeyBHSUYTALRABQQV-UHFFFAOYSA-N
XLogP2.47
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide (CID 143165536) is 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide is COc1ccc(NC(=O)c2ccc(N)c(NN)c2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide?
The InChIKey is BHSUYTALRABQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-13-5-3-9(7-10(13)15)18-14(20)8-2-4-11(16)12(6-8)19-17/h2-7,19H,16-17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide?
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide is sourced from PubChem (CID 143165536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).