2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide

C13H17N3O3 — CID 64824134

IUPAC2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCC1N
InChIInChI=1S/C13H17N3O3/c1-8-7-9(16(18)19)5-6-12(8)15-13(17)10-3-2-4-11(10)14/h5-7,10-11H,2-4,14H2,1H3,(H,15,17)
InChIKeyBVSKJNOQAZKBLR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide

2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 64824134) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID64824134
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCC1N
InChIInChI=1S/C13H17N3O3/c1-8-7-9(16(18)19)5-6-12(8)15-13(17)10-3-2-4-11(10)14/h5-7,10-11H,2-4,14H2,1H3,(H,15,17)
InChIKeyBVSKJNOQAZKBLR-UHFFFAOYSA-N
XLogP1.97
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.97
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

4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
cis-(1S,2R)-2-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366490
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
6-[(2-methyl-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331123
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
CID 64823152
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide (CID 64824134) is 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is BVSKJNOQAZKBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-7-9(16(18)19)5-6-12(8)15-13(17)10-3-2-4-11(10)14/h5-7,10-11H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide?
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64824134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).