2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide

C20H18ClFN4O — CID 16673485

IUPAC2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1(c2cccc(F)c2)CCCC1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C20H18ClFN4O/c21-18-11-16(26-12-23-24-13-26)6-7-17(18)19(27)25-20(8-1-2-9-20)14-4-3-5-15(22)10-14/h3-7,10-13H,1-2,8-9H2,(H,25,27)
InChIKeyHVQFHQKINMEQCI-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.26
Rot. Bonds4

About 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 16673485) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID16673485
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1(c2cccc(F)c2)CCCC1)c1ccc(-n2cnnc2)cc1Cl
InChIInChI=1S/C20H18ClFN4O/c21-18-11-16(26-12-23-24-13-26)6-7-17(18)19(27)25-20(8-1-2-9-20)14-4-3-5-15(22)10-14/h3-7,10-13H,1-2,8-9H2,(H,25,27)
InChIKeyHVQFHQKINMEQCI-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834482
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
N-[4-(acetylamino)phenyl]-2-chloro-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1253143
US10189819, Example 101
CID 138403911
US10189819, Example 111
CID 138403920
N-(3-chlorophenyl)-4-(tetrazol-1-yl)benzamide
CID 779648
N-(3-acetylphenyl)-2-chloro-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1264964
N-(4-fluorophenyl)-4-(4H-1,2,4-triazol-4-yl)benzamide
CID 6457725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 16673485) is 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide is O=C(NC1(c2cccc(F)c2)CCCC1)c1ccc(-n2cnnc2)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HVQFHQKINMEQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-18-11-16(26-12-23-24-13-26)6-7-17(18)19(27)25-20(8-1-2-9-20)14-4-3-5-15(22)10-14/h3-7,10-13H,1-2,8-9H2,(H,25,27).
What are the key properties of 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 384.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-fluorophenyl)cyclopentyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 16673485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).