2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide

C15H21N3O4 — CID 110014673

IUPAC2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide
SMILESNc1cccc([N+](=O)[O-])c1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H21N3O4/c16-11-6-5-7-12(18(21)22)13(11)14(19)17-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10,16H2,(H,17,19)
InChIKeyGUIZSRYVKGINGL-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide

2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide (PubChem CID 110014673) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide
PubChem CID110014673
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide
SMILESNc1cccc([N+](=O)[O-])c1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H21N3O4/c16-11-6-5-7-12(18(21)22)13(11)14(19)17-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10,16H2,(H,17,19)
InChIKeyGUIZSRYVKGINGL-UHFFFAOYSA-N
XLogP1.99
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.99
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-[(2-hydroxycyclopentyl)methyl]-6-nitrobenzamide
CID 110014804
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 64868492
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
N-[(1-hydroxycyclohexyl)methyl]-1-(2-nitrophenyl)pyrazole-3-carboxamide
CID 111459399
3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide
CID 111331433
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
4-(cyclopropylamino)-N-[(1-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 111485738
3-chloro-N-[(1-hydroxycyclobutyl)methyl]-4-nitrobenzamide
CID 115870258
2-amino-N-(3-hydroxy-2,2,4-trimethylpentyl)-6-nitrobenzamide
CID 110016581

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide?
The IUPAC name of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide (CID 110014673) is 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide?
The canonical SMILES for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide is Nc1cccc([N+](=O)[O-])c1C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide?
The InChIKey is GUIZSRYVKGINGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c16-11-6-5-7-12(18(21)22)13(11)14(19)17-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10,16H2,(H,17,19).
What are the key properties of 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide?
2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide has a molecular weight of 307.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxycycloheptyl)methyl]-6-nitrobenzamide is sourced from PubChem (CID 110014673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).