N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide

C27H22FN5O2 — CID 166365515

IUPACN-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide
SMILESO=C(NC(CO)c1cccc(F)c1)c1ccccc1Cn1cc(-c2cccc3ncccc23)nn1
InChIInChI=1S/C27H22FN5O2/c28-20-8-3-7-18(14-20)26(17-34)30-27(35)21-9-2-1-6-19(21)15-33-16-25(31-32-33)23-10-4-12-24-22(23)11-5-13-29-24/h1-14,16,26,34H,15,17H2,(H,30,35)
InChIKeyDNXQQQZJWNDQFH-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.14
Rot. Bonds7

About N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide

N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide (PubChem CID 166365515) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide
PubChem CID166365515
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC NameN-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide
SMILESO=C(NC(CO)c1cccc(F)c1)c1ccccc1Cn1cc(-c2cccc3ncccc23)nn1
InChIInChI=1S/C27H22FN5O2/c28-20-8-3-7-18(14-20)26(17-34)30-27(35)21-9-2-1-6-19(21)15-33-16-25(31-32-33)23-10-4-12-24-22(23)11-5-13-29-24/h1-14,16,26,34H,15,17H2,(H,30,35)
InChIKeyDNXQQQZJWNDQFH-UHFFFAOYSA-N
XLogP4.14
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide (CID 166365515) is N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide is O=C(NC(CO)c1cccc(F)c1)c1ccccc1Cn1cc(-c2cccc3ncccc23)nn1.
What is the InChIKey of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide?
The InChIKey is DNXQQQZJWNDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c28-20-8-3-7-18(14-20)26(17-34)30-27(35)21-9-2-1-6-19(21)15-33-16-25(31-32-33)23-10-4-12-24-22(23)11-5-13-29-24/h1-14,16,26,34H,15,17H2,(H,30,35).
What are the key properties of N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide?
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide has a molecular weight of 467.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2-hydroxyethyl]-2-[(4-quinolin-5-yltriazol-1-yl)methyl]benzamide is sourced from PubChem (CID 166365515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).