4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline

C12H15ClN2O2 — CID 61368894

IUPAC4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline
SMILESCC1(Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H15ClN2O2/c1-12(6-2-3-7-12)14-10-5-4-9(13)8-11(10)15(16)17/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyDYRAMCCMSZAHOB-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.99
Rot. Bonds3

About 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline

4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline (PubChem CID 61368894) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline
PubChem CID61368894
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline
SMILESCC1(Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H15ClN2O2/c1-12(6-2-3-7-12)14-10-5-4-9(13)8-11(10)15(16)17/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyDYRAMCCMSZAHOB-UHFFFAOYSA-N
XLogP3.99
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-bromo-N-(1-methylcyclohexyl)-2-nitroaniline
CID 55193171
4-[(1-methylcyclobutyl)amino]-3-nitrobenzaldehyde
CID 113485606
4-[(1-methylcyclobutyl)amino]-3-nitrobenzoic acid
CID 113485552
4-[(1-methylcyclobutyl)amino]-3-nitrobenzonitrile
CID 115765446
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
N-(1-methylcyclopropyl)-2-nitro-4-(trifluoromethyl)aniline
CID 113485572
5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
CID 61216845
N-(4-bromo-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696945
3-(4-chloro-2-nitroanilino)oxolane-3-carboxylic acid
CID 64887931
4-chloro-N-[(4-methyloxan-4-yl)methyl]-2-nitroaniline
CID 103742963
3-methyl-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 107425287
2-fluoro-5-methoxy-N-(1-methylcyclobutyl)-4-nitroaniline
CID 107260383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline?
The IUPAC name of 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline (CID 61368894) is 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline.
What is the SMILES notation for 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline?
The canonical SMILES for 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline is CC1(Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline?
The InChIKey is DYRAMCCMSZAHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(6-2-3-7-12)14-10-5-4-9(13)8-11(10)15(16)17/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline?
4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline has a molecular weight of 254.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline is sourced from PubChem (CID 61368894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).