2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide

C13H17N3O4 — CID 110014804

IUPAC2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide
SMILESNc1cccc([N+](=O)[O-])c1C(=O)NCC1CCCC1O
InChIInChI=1S/C13H17N3O4/c14-9-4-2-5-10(16(19)20)12(9)13(18)15-7-8-3-1-6-11(8)17/h2,4-5,8,11,17H,1,3,6-7,14H2,(H,15,18)
InChIKeyMWNMJYSQEYQHCR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide

2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide (PubChem CID 110014804) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide
PubChem CID110014804
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide
SMILESNc1cccc([N+](=O)[O-])c1C(=O)NCC1CCCC1O
InChIInChI=1S/C13H17N3O4/c14-9-4-2-5-10(16(19)20)12(9)13(18)15-7-8-3-1-6-11(8)17/h2,4-5,8,11,17H,1,3,6-7,14H2,(H,15,18)
InChIKeyMWNMJYSQEYQHCR-UHFFFAOYSA-N
XLogP1.07
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide
CID 110014673
N-[(2-hydroxycyclopentyl)methyl]-2-nitro-4-(trifluoromethyl)benzamide
CID 111471387
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
N-[(2-chlorocyclopentyl)methyl]-2-methyl-3-nitrobenzamide
CID 114303186
2-[(2-methyl-6-nitroanilino)methyl]cyclohexan-1-ol
CID 79003012
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
N-[(2-bromocyclopentyl)methyl]-3-nitrobenzamide
CID 114313737
cis-(1S,2R)-2-[[[(1S)-1-(2-methyl-3-nitrophenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 97323079
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
2-amino-N-(2,2-diethyl-4-hydroxybutyl)-6-nitrobenzamide
CID 110016320

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide?
The IUPAC name of 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide (CID 110014804) is 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide?
The canonical SMILES for 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide is Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CCCC1O.
What is the InChIKey of 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide?
The InChIKey is MWNMJYSQEYQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-9-4-2-5-10(16(19)20)12(9)13(18)15-7-8-3-1-6-11(8)17/h2,4-5,8,11,17H,1,3,6-7,14H2,(H,15,18).
What are the key properties of 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide?
2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide has a molecular weight of 279.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide is sourced from PubChem (CID 110014804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).