2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C19H18N2O5 — CID 66738360

IUPAC2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N2O5/c22-18(16-2-1-3-17(16)19(23)24)20-14-8-4-12(5-9-14)13-6-10-15(11-7-13)21(25)26/h4-11,16-17H,1-3H2,(H,20,22)(H,23,24)
InChIKeyAREVBBDTLJOQIK-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.70
Rot. Bonds5

About 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 66738360) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID66738360
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N2O5/c22-18(16-2-1-3-17(16)19(23)24)20-14-8-4-12(5-9-14)13-6-10-15(11-7-13)21(25)26/h4-11,16-17H,1-3H2,(H,20,22)(H,23,24)
InChIKeyAREVBBDTLJOQIK-UHFFFAOYSA-N
XLogP3.70
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738210
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[(4-chloro-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013496
trans-(1R,2R)-2-[(4-chloro-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 6545205
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
4-cyclooctyl-N-[4-(4-nitrophenyl)phenyl]oxolane-2-carboxamide
CID 126547415
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
3-[(4-nitrophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 13140869

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 66738360) is 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is AREVBBDTLJOQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-18(16-2-1-3-17(16)19(23)24)20-14-8-4-12(5-9-14)13-6-10-15(11-7-13)21(25)26/h4-11,16-17H,1-3H2,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66738360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).