3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide

C14H10Cl3NO3 — CID 2994955

IUPAC3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-21-12-3-2-7(4-9(12)15)14(20)18-8-5-10(16)13(19)11(17)6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyKGZKICQBQSKTKR-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.61
Rot. Bonds3

About 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide

3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide (PubChem CID 2994955) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
PubChem CID2994955
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl3NO3/c1-21-12-3-2-7(4-9(12)15)14(20)18-8-5-10(16)13(19)11(17)6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyKGZKICQBQSKTKR-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
CID 2993167
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
3-chloro-N-(4-iodo-3,5-dimethylphenyl)-4-methoxybenzamide
CID 17313445
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide (CID 2994955) is 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide?
The InChIKey is KGZKICQBQSKTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-21-12-3-2-7(4-9(12)15)14(20)18-8-5-10(16)13(19)11(17)6-8/h2-6,19H,1H3,(H,18,20).
What are the key properties of 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide?
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide has a molecular weight of 346.60 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 2994955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).