N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C17H14ClFN4O — CID 17014827

IUPACN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-11-16(17(24)20-10-12-4-2-3-5-15(12)18)21-22-23(11)14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H,20,24)
InChIKeyWIFCPNQNBWKADW-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 17014827) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID17014827
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c1-11-16(17(24)20-10-12-4-2-3-5-15(12)18)21-22-23(11)14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H,20,24)
InChIKeyWIFCPNQNBWKADW-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 16648950
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CID 46232736
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CID 2150362
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CID 8087414
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CID 11569619
CID 11569619
CID 15988135
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CID 16030163
CID 16030163
CID 22423794
CID 22423794
CID 155806147
CID 155806147
CID 4547122
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CID 5214847
CID 5214847
CID 118513269
CID 118513269

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 17014827) is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is WIFCPNQNBWKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-11-16(17(24)20-10-12-4-2-3-5-15(12)18)21-22-23(11)14-8-6-13(19)7-9-14/h2-9H,10H2,1H3,(H,20,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 17014827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).