4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide

C21H22N2O3 — CID 9203613

IUPAC4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-26-19-12-10-18(11-13-19)23-21(25)16-6-8-17(9-7-16)22-20(24)14-15-4-2-3-5-15/h2,4,6-13,15H,3,5,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyCFEZPGONWLPHQN-OAHLLOKOSA-N
MW350.42 g/mol
LogP4.24
Rot. Bonds6

About 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9203613) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9203613
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)cc1
InChIInChI=1S/C21H22N2O3/c1-26-19-12-10-18(11-13-19)23-21(25)16-6-8-17(9-7-16)22-20(24)14-15-4-2-3-5-15/h2,4,6-13,15H,3,5,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyCFEZPGONWLPHQN-OAHLLOKOSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 51079266
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 9203613) is 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)cc1.
What is the InChIKey of 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is CFEZPGONWLPHQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-19-12-10-18(11-13-19)23-21(25)16-6-8-17(9-7-16)22-20(24)14-15-4-2-3-5-15/h2,4,6-13,15H,3,5,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9203613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).