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

C19H16ClNO3 — CID 91338631

IUPAC2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)N(Cl)c2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C19H16ClNO3/c20-21(18(22)16-7-4-8-17(16)19(23)24)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,23,24)
InChIKeyTUGAAYNVUWNVOO-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.41
Rot. Bonds4

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

2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 91338631) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID91338631
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)N(Cl)c2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C19H16ClNO3/c20-21(18(22)16-7-4-8-17(16)19(23)24)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,23,24)
InChIKeyTUGAAYNVUWNVOO-UHFFFAOYSA-N
XLogP4.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxyphenyl)-phenylcarbamoyl]cyclopentene-1-carboxylic acid
CID 91094989
cyclohexene-1,2-dicarboxylic acid
CID 6958
1,1'-biphenyl;cycloheptane
CID 174877368
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
N-methyl-2-phenyl-N-(pyrimidin-2-ylmethyl)cyclopentene-1-carboxamide
CID 166263118
2-pyridin-4-ylcyclopentene-1-carboxylic acid
CID 127020464
2-[(2-methoxy-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 21084767
chloro-(4-phenylphenyl)phosphinic acid
CID 121303407
4-phenylbenzoic acid;piperidine
CID 67667753
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid (CID 91338631) is 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)N(Cl)c2ccc(-c3ccccc3)cc2)CCC1.
What is the InChIKey of 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is TUGAAYNVUWNVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-21(18(22)16-7-4-8-17(16)19(23)24)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,23,24).
What are the key properties of 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 341.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 91338631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).