N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C27H28FNO2 — CID 100665172

IUPACN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C27H28FNO2/c1-19-16-24(17-20(2)25(19)31-18-21-8-4-3-5-9-21)29-26(30)27(14-6-7-15-27)22-10-12-23(28)13-11-22/h3-5,8-13,16-17H,6-7,14-15,18H2,1-2H3,(H,29,30)
InChIKeyTURLGUHKKMLEHT-UHFFFAOYSA-N
MW417.52 g/mol
LogP6.47
Rot. Bonds6

About N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100665172) has the molecular formula C27H28FNO2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100665172
Molecular FormulaC27H28FNO2
Molecular Weight417.52 g/mol
Exact Mass417.21
IUPAC NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C27H28FNO2/c1-19-16-24(17-20(2)25(19)31-18-21-8-4-3-5-9-21)29-26(30)27(14-6-7-15-27)22-10-12-23(28)13-11-22/h3-5,8-13,16-17H,6-7,14-15,18H2,1-2H3,(H,29,30)
InChIKeyTURLGUHKKMLEHT-UHFFFAOYSA-N
XLogP6.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide 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

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100678872
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674689
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674701
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755
N-(4-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972
N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663730
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 100665172) is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)c1OCc1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is TURLGUHKKMLEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO2/c1-19-16-24(17-20(2)25(19)31-18-21-8-4-3-5-9-21)29-26(30)27(14-6-7-15-27)22-10-12-23(28)13-11-22/h3-5,8-13,16-17H,6-7,14-15,18H2,1-2H3,(H,29,30).
What are the key properties of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100665172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).