N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide

C18H17FN4O2 — CID 95354401

IUPACN-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
SMILESC[C@H](COc1cccc(F)c1)NC(=O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C18H17FN4O2/c1-13(10-25-17-7-3-5-15(19)9-17)22-18(24)14-4-2-6-16(8-14)23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyDDLHNTMPXSCNEW-CYBMUJFWSA-N
MW340.36 g/mol
LogP2.60
Rot. Bonds6

About N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide

N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide (PubChem CID 95354401) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
PubChem CID95354401
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
SMILESC[C@H](COc1cccc(F)c1)NC(=O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C18H17FN4O2/c1-13(10-25-17-7-3-5-15(19)9-17)22-18(24)14-4-2-6-16(8-14)23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyDDLHNTMPXSCNEW-CYBMUJFWSA-N
XLogP2.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide (CID 95354401) is N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide is C[C@H](COc1cccc(F)c1)NC(=O)c1cccc(-n2cncn2)c1.
What is the InChIKey of N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DDLHNTMPXSCNEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-13(10-25-17-7-3-5-15(19)9-17)22-18(24)14-4-2-6-16(8-14)23-12-20-11-21-23/h2-9,11-13H,10H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide?
N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 340.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 95354401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).