N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

C25H29FN8O — CID 72699760

IUPACN-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(CCN(C)C)[C@@H](C)Cn2cc(-c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C25H29FN8O/c1-18-5-10-24(34-27-11-12-28-34)22(15-18)25(35)33(14-13-31(3)4)19(2)16-32-17-23(29-30-32)20-6-8-21(26)9-7-20/h5-12,15,17,19H,13-14,16H2,1-4H3/t19-/m0/s1
InChIKeyOISJINIUZFVDEM-IBGZPJMESA-N
MW476.56 g/mol
LogP3.07
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 72699760) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID72699760
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(CCN(C)C)[C@@H](C)Cn2cc(-c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C25H29FN8O/c1-18-5-10-24(34-27-11-12-28-34)22(15-18)25(35)33(14-13-31(3)4)19(2)16-32-17-23(29-30-32)20-6-8-21(26)9-7-20/h5-12,15,17,19H,13-14,16H2,1-4H3/t19-/m0/s1
InChIKeyOISJINIUZFVDEM-IBGZPJMESA-N
XLogP3.07
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 72699760) is N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)N(CCN(C)C)[C@@H](C)Cn2cc(-c3ccc(F)cc3)nn2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is OISJINIUZFVDEM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29FN8O/c1-18-5-10-24(34-27-11-12-28-34)22(15-18)25(35)33(14-13-31(3)4)19(2)16-32-17-23(29-30-32)20-6-8-21(26)9-7-20/h5-12,15,17,19H,13-14,16H2,1-4H3/t19-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 476.56 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2S)-1-[4-(4-fluorophenyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72699760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).