N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide

C29H31FN2O4 — CID 43821096

IUPACN-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)Cc3ccccc3)CCCC2)c(OC)c1
InChIInChI=1S/C29H31FN2O4/c1-35-23-14-15-25(26(19-23)36-2)31-28(34)29(16-8-9-17-29)32(20-22-12-6-7-13-24(22)30)27(33)18-21-10-4-3-5-11-21/h3-7,10-15,19H,8-9,16-18,20H2,1-2H3,(H,31,34)
InChIKeyQDNRGSORUBKPCX-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.37
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide

N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide (PubChem CID 43821096) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide
PubChem CID43821096
Molecular FormulaC29H31FN2O4
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)Cc3ccccc3)CCCC2)c(OC)c1
InChIInChI=1S/C29H31FN2O4/c1-35-23-14-15-25(26(19-23)36-2)31-28(34)29(16-8-9-17-29)32(20-22-12-6-7-13-24(22)30)27(33)18-21-10-4-3-5-11-21/h3-7,10-15,19H,8-9,16-18,20H2,1-2H3,(H,31,34)
InChIKeyQDNRGSORUBKPCX-UHFFFAOYSA-N
XLogP5.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]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-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide
CID 43821188
1-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl-(2-phenylacetyl)amino]-N-(2,4-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 43821171
N-(2,4-dimethoxyphenyl)-1-[[2-[(1R,3R)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]-[(2-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
CID 98203243
N-(2,4-dimethoxyphenyl)-1-[[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]-[(2-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
CID 3554141
(2R,4aR,9aS)-2-[benzyl-(2-phenylacetyl)amino]-N-(2,4-dimethoxyphenyl)-3,4,4a,9,9a,10-hexahydro-1H-anthracene-2-carboxamide
CID 98456053
N-(2,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl-[2-[(4S)-4-phenyl-2-sulfanylideneimidazolidin-1-yl]acetyl]amino]-1-methylpiperidine-4-carboxamide
CID 98203392
N-(2,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methyl-[2-[(4S)-4-phenyl-2-sulfanylideneimidazolidin-1-yl]acetyl]amino]thiane-4-carboxamide
CID 98203384
1-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,4-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 43821714
N-(2,4-dimethoxyphenyl)-1-[[2-[(4S)-4-phenyl-2-sulfanylideneimidazolidin-1-yl]acetyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]cyclohexane-1-carboxamide
CID 99650000
3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42696062
N-(4-methoxyphenyl)-1-[(2-phenylacetyl)-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]cyclopentane-1-carboxamide
CID 43820858
N-(2,4-dimethoxyphenyl)-1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]cyclohexane-1-carboxamide
CID 43821731

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide (CID 43821096) is N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)Cc3ccccc3)CCCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide?
The InChIKey is QDNRGSORUBKPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-35-23-14-15-25(26(19-23)36-2)31-28(34)29(16-8-9-17-29)32(20-22-12-6-7-13-24(22)30)27(33)18-21-10-4-3-5-11-21/h3-7,10-15,19H,8-9,16-18,20H2,1-2H3,(H,31,34).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 43821096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).