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

C20H20N2O5 — CID 66738210

IUPAC2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)C1CCCC1C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H20N2O5/c1-21(19(23)17-3-2-4-18(17)20(24)25)15-9-5-13(6-10-15)14-7-11-16(12-8-14)22(26)27/h5-12,17-18H,2-4H2,1H3,(H,24,25)
InChIKeyIPPALRIZWKLLMF-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.73
Rot. Bonds5

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

2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 66738210) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID66738210
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)C1CCCC1C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H20N2O5/c1-21(19(23)17-3-2-4-18(17)20(24)25)15-9-5-13(6-10-15)14-7-11-16(12-8-14)22(26)27/h5-12,17-18H,2-4H2,1H3,(H,24,25)
InChIKeyIPPALRIZWKLLMF-UHFFFAOYSA-N
XLogP3.73
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
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-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 64822129
2-[[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738360
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
(2S)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910568
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
2-[cyclopropyl-[(4-nitrophenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977540
2-(4-nitrophenyl)cycloheptane-1-carboxylic acid
CID 82246550
methyl 2-[4-(4-nitrophenyl)benzoyl]cyclopentane-1-carboxylate
CID 138108991
(1R,2S,4R)-4-(4-nitrophenyl)cyclohexane-1,2-dicarboxylic acid
CID 26412216
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56684916
2-(N-cyclopentyl-4-nitroanilino)acetic acid
CID 60838150

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 66738210) is 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is CN(C(=O)C1CCCC1C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IPPALRIZWKLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-21(19(23)17-3-2-4-18(17)20(24)25)15-9-5-13(6-10-15)14-7-11-16(12-8-14)22(26)27/h5-12,17-18H,2-4H2,1H3,(H,24,25).
What are the key properties of 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66738210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).