N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide

C25H31FN6O2 — CID 70346960

IUPACN-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2nn[nH]n2)cc1CNC1CCC(NC(=O)C(C)(C)C)C1c1ccc(F)cc1
InChIInChI=1S/C25H31FN6O2/c1-25(2,3)24(33)28-20-11-10-19(22(20)15-5-8-18(26)9-6-15)27-14-17-13-16(7-12-21(17)34-4)23-29-31-32-30-23/h5-9,12-13,19-20,22,27H,10-11,14H2,1-4H3,(H,28,33)(H,29,30,31,32)
InChIKeyKGNDSJMQBJHIFV-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide

N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide (PubChem CID 70346960) has the molecular formula C25H31FN6O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide
PubChem CID70346960
Molecular FormulaC25H31FN6O2
Molecular Weight466.56 g/mol
Exact Mass466.25
IUPAC NameN-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2nn[nH]n2)cc1CNC1CCC(NC(=O)C(C)(C)C)C1c1ccc(F)cc1
InChIInChI=1S/C25H31FN6O2/c1-25(2,3)24(33)28-20-11-10-19(22(20)15-5-8-18(26)9-6-15)27-14-17-13-16(7-12-21(17)34-4)23-29-31-32-30-23/h5-9,12-13,19-20,22,27H,10-11,14H2,1-4H3,(H,28,33)(H,29,30,31,32)
InChIKeyKGNDSJMQBJHIFV-UHFFFAOYSA-N
XLogP3.58
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
CID 70347184
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
[2-methoxy-4-(2H-tetrazol-5-yl)phenyl] 2,2-dimethylpropanoate
CID 54573821
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
N-[(1S,2S,3S)-2-(4-fluorophenyl)-3-(pyrrolidin-1-ylmethyl)cyclopentyl]-2-methoxy-N-methyl-5-(2H-tetrazol-5-yl)aniline
CID 70347413
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(2-methoxyphenyl)acetamide
CID 97346535
N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1469325
(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
1-(4-tert-butylcyclohexyl)-3-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methylurea
CID 170434097

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide (CID 70346960) is N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide is COc1ccc(-c2nn[nH]n2)cc1CNC1CCC(NC(=O)C(C)(C)C)C1c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide?
The InChIKey is KGNDSJMQBJHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2/c1-25(2,3)24(33)28-20-11-10-19(22(20)15-5-8-18(26)9-6-15)27-14-17-13-16(7-12-21(17)34-4)23-29-31-32-30-23/h5-9,12-13,19-20,22,27H,10-11,14H2,1-4H3,(H,28,33)(H,29,30,31,32).
What are the key properties of N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide?
N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide has a molecular weight of 466.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]cyclopentyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 70346960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).