N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C23H29FN2O2 — CID 95268454

IUPACN-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CCCC2)N(C)C)c1
InChIInChI=1S/C23H29FN2O2/c1-26(2)21(17-7-6-8-20(15-17)28-3)16-25-22(27)23(13-4-5-14-23)18-9-11-19(24)12-10-18/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeySQXLJVUNNOQPNF-NRFANRHFSA-N
MW384.50 g/mol
LogP4.07
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 95268454) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID95268454
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CCCC2)N(C)C)c1
InChIInChI=1S/C23H29FN2O2/c1-26(2)21(17-7-6-8-20(15-17)28-3)16-25-22(27)23(13-4-5-14-23)18-9-11-19(24)12-10-18/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeySQXLJVUNNOQPNF-NRFANRHFSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55539130
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340
1-(4-bromophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 46438158
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324
3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55527106
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 95268454) is N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is COc1cccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CCCC2)N(C)C)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is SQXLJVUNNOQPNF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-26(2)21(17-7-6-8-20(15-17)28-3)16-25-22(27)23(13-4-5-14-23)18-9-11-19(24)12-10-18/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 95268454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).