N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride

C17H25ClFN3O2 — CID 119782980

IUPACN-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCCCNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2.ClH/c18-14-7-5-12(6-8-14)16(22)20-9-2-10-21-17(23)13-3-1-4-15(19)11-13;/h5-8,13,15H,1-4,9-11,19H2,(H,20,22)(H,21,23);1H
InChIKeyFWUYRTOPPCBDFT-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.00
Rot. Bonds6

About N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride

N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119782980) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
PubChem CID119782980
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC NameN-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCCCNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2.ClH/c18-14-7-5-12(6-8-14)16(22)20-9-2-10-21-17(23)13-3-1-4-15(19)11-13;/h5-8,13,15H,1-4,9-11,19H2,(H,20,22)(H,21,23);1H
InChIKeyFWUYRTOPPCBDFT-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119783278
(2S,4S)-N-[3-[(4-fluorobenzoyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632447
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
N-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]-3-bromobenzamide
CID 119765634
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride (CID 119782980) is N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride is Cl.NC1CCCC(C(=O)NCCCNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is FWUYRTOPPCBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c18-14-7-5-12(6-8-14)16(22)20-9-2-10-21-17(23)13-3-1-4-15(19)11-13;/h5-8,13,15H,1-4,9-11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride?
N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).