2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid

C20H19NO4 — CID 21084767

IUPAC2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1cc(-c2ccccc2)ccc1NC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C20H19NO4/c1-25-18-12-14(13-6-3-2-4-7-13)10-11-17(18)21-19(22)15-8-5-9-16(15)20(23)24/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyIRHWLFAWFKXGGF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.87
Rot. Bonds5

About 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid

2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084767) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084767
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1cc(-c2ccccc2)ccc1NC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C20H19NO4/c1-25-18-12-14(13-6-3-2-4-7-13)10-11-17(18)21-19(22)15-8-5-9-16(15)20(23)24/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyIRHWLFAWFKXGGF-UHFFFAOYSA-N
XLogP3.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-hydroxy-2-methoxyphenyl)-2-methoxyphenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 131969768
[2-[[2-fluoro-4-(2-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carbonyl] 2-[[2-methoxy-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate
CID 87662420
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 68838404
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
2-[[2-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084763
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
calcium;bis(2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylate);hydrate
CID 164512938
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid (CID 21084767) is 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid is COc1cc(-c2ccccc2)ccc1NC(=O)C1=C(C(=O)O)CCC1.
What is the InChIKey of 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is IRHWLFAWFKXGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-25-18-12-14(13-6-3-2-4-7-13)10-11-17(18)21-19(22)15-8-5-9-16(15)20(23)24/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).