N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride

C14H20ClN3O3 — CID 119404019

IUPACN-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1
InChIInChI=1S/C14H19N3O3.ClH/c15-14(8-2-1-3-9-14)10-16-13(18)11-4-6-12(7-5-11)17(19)20;/h4-7H,1-3,8-10,15H2,(H,16,18);1H
InChIKeyCXPAHORWFUBDPT-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.41
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride (PubChem CID 119404019) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride
PubChem CID119404019
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1
InChIInChI=1S/C14H19N3O3.ClH/c15-14(8-2-1-3-9-14)10-16-13(18)11-4-6-12(7-5-11)17(19)20;/h4-7H,1-3,8-10,15H2,(H,16,18);1H
InChIKeyCXPAHORWFUBDPT-UHFFFAOYSA-N
XLogP2.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.41
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'}

Analyze N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-methyl-3-nitrobenzamide;hydrochloride
CID 119404442
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
CID 166201965
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-nitrobenzamide
CID 120850141
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-nitrobenzamide
CID 119404114
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
CID 121178991
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride (CID 119404019) is N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride is Cl.NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride?
The InChIKey is CXPAHORWFUBDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c15-14(8-2-1-3-9-14)10-16-13(18)11-4-6-12(7-5-11)17(19)20;/h4-7H,1-3,8-10,15H2,(H,16,18);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119404019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).