3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C16H12Cl2N4O2 — CID 37121357

IUPAC3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc1Cl
InChIInChI=1S/C16H12Cl2N4O2/c1-24-15-13(17)6-10(7-14(15)18)16(23)21-11-2-4-12(5-3-11)22-9-19-8-20-22/h2-9H,1H3,(H,21,23)
InChIKeyMRTKPABZGNRMSV-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.84
Rot. Bonds4

About 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 37121357) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID37121357
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Name3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc1Cl
InChIInChI=1S/C16H12Cl2N4O2/c1-24-15-13(17)6-10(7-14(15)18)16(23)21-11-2-4-12(5-3-11)22-9-19-8-20-22/h2-9H,1H3,(H,21,23)
InChIKeyMRTKPABZGNRMSV-UHFFFAOYSA-N
XLogP3.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55608636
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929
2-N-(3-chloro-4-methoxyphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816348
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
3-(2,2-dimethylpropanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37120344
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 37121357) is 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is COc1c(Cl)cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is MRTKPABZGNRMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c1-24-15-13(17)6-10(7-14(15)18)16(23)21-11-2-4-12(5-3-11)22-9-19-8-20-22/h2-9H,1H3,(H,21,23).
What are the key properties of 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 363.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 37121357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).