N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide

C18H18N2O3 — CID 53446294

IUPACN-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(c1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O3/c21-14-19(16-10-4-5-11-17(16)20(22)23)18(12-6-7-13-18)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2
InChIKeyHJAHCLMCHWIRJS-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.03
Rot. Bonds5

About N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide

N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446294) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
PubChem CID53446294
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(c1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O3/c21-14-19(16-10-4-5-11-17(16)20(22)23)18(12-6-7-13-18)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2
InChIKeyHJAHCLMCHWIRJS-UHFFFAOYSA-N
XLogP4.03
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide
CID 53446248
N,N-dichloro-2-nitroaniline
CID 13272655
(N-bromo-2-nitroanilino) formate
CID 174813515
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
1-(2-nitrophenyl)cyclopropane-1-carbaldehyde
CID 10888753
N-(4-phenylbutyl)-N-(1-phenylcyclopentyl)formamide
CID 57367403
1-[2-(N-methyl-2-nitroanilino)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168487
2-nitro-N-phenyl-N-prop-2-enylaniline
CID 10967040
N-methyl-N-(2-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 12042843
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
N-[4-[formyl-[(2-nitrophenyl)methyl]amino]phenyl]-N-[(2-nitrophenyl)methyl]formamide
CID 87261695
1,2-dinitrobenzene;N,N-diphenylaniline
CID 174468566

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide (CID 53446294) is N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide is O=CN(c1ccccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
The InChIKey is HJAHCLMCHWIRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-14-19(16-10-4-5-11-17(16)20(22)23)18(12-6-7-13-18)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2.
What are the key properties of N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide?
N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide has a molecular weight of 310.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).