N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide

C13H16ClN3O3 — CID 60648529

IUPACN-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H16ClN3O3/c14-11-6-5-10(17(19)20)7-12(11)16-13(18)8-15-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2,(H,16,18)
InChIKeyVVMFYDQWXSOAHE-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.72
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide

N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide (PubChem CID 60648529) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
PubChem CID60648529
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H16ClN3O3/c14-11-6-5-10(17(19)20)7-12(11)16-13(18)8-15-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2,(H,16,18)
InChIKeyVVMFYDQWXSOAHE-UHFFFAOYSA-N
XLogP2.72
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.72
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-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
CID 9265553
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
CID 9265560
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54815310
N-(2-chloro-5-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 7815371
N-(2-chloro-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627699

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide (CID 60648529) is N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide is O=C(CNC1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide?
The InChIKey is VVMFYDQWXSOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-11-6-5-10(17(19)20)7-12(11)16-13(18)8-15-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2,(H,16,18).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide has a molecular weight of 297.74 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide is sourced from PubChem (CID 60648529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).