2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide

C23H27FN6O2 — CID 70347184

IUPAC2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCOc1ccc(-c2nn[nH]n2)cc1CNC1CCC(C(=O)N(C)C)C1c1ccc(F)cc1
InChIInChI=1S/C23H27FN6O2/c1-30(2)23(31)18-9-10-19(21(18)14-4-7-17(24)8-5-14)25-13-16-12-15(6-11-20(16)32-3)22-26-28-29-27-22/h4-8,11-12,18-19,21,25H,9-10,13H2,1-3H3,(H,26,27,28,29)
InChIKeyRPOTVIJHZWDYAS-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.75
Rot. Bonds7

About 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide

2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 70347184) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID70347184
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCOc1ccc(-c2nn[nH]n2)cc1CNC1CCC(C(=O)N(C)C)C1c1ccc(F)cc1
InChIInChI=1S/C23H27FN6O2/c1-30(2)23(31)18-9-10-19(21(18)14-4-7-17(24)8-5-14)25-13-16-12-15(6-11-20(16)32-3)22-26-28-29-27-22/h4-8,11-12,18-19,21,25H,9-10,13H2,1-3H3,(H,26,27,28,29)
InChIKeyRPOTVIJHZWDYAS-UHFFFAOYSA-N
XLogP2.75
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide
CID 70346960
2-(4-fluorophenyl)-N-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-3-(triazol-1-ylmethyl)cyclopentan-1-amine
CID 67613519
methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-ylphenyl)methylamino]cyclopentane-1-carboxylate
CID 67668919
methyl 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-3-ylphenyl)methylamino]cyclopentane-1-carboxylate
CID 67667060
trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 166311782
N-[(1S,2S,3S)-2-(4-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)cyclopentyl]-2-methoxy-N-methyl-5-(2H-tetrazol-5-yl)aniline
CID 70347413
(3S)-N-[(1R)-1-(4-fluoro-2-methoxyphenyl)ethyl]-3-[4-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 70824860
2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696926
[2-methoxy-4-(2H-tetrazol-5-yl)phenyl] 2,2-dimethylpropanoate
CID 54573821
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]methylamino]cyclohexyl]methylcarbamic acid
CID 69189143
2-[[(1S,2S,3S)-2-(4-fluorophenyl)-3-[2-methoxy-N-methyl-5-(tetrazol-1-yl)anilino]cyclopentyl]amino]acetamide
CID 22885619

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide (CID 70347184) is 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide is COc1ccc(-c2nn[nH]n2)cc1CNC1CCC(C(=O)N(C)C)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is RPOTVIJHZWDYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-30(2)23(31)18-9-10-19(21(18)14-4-7-17(24)8-5-14)25-13-16-12-15(6-11-20(16)32-3)22-26-28-29-27-22/h4-8,11-12,18-19,21,25H,9-10,13H2,1-3H3,(H,26,27,28,29).
What are the key properties of 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide?
2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 70347184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).