N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide

C18H26FN3O2 — CID 119609996

IUPACN-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
SMILESNCC1CCCCC1NC(=O)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c19-15-9-7-13(8-10-15)18(24)21-11-3-6-17(23)22-16-5-2-1-4-14(16)12-20/h7-10,14,16H,1-6,11-12,20H2,(H,21,24)(H,22,23)
InChIKeyXSEHBNLFYJHEFW-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.97
Rot. Bonds7

About N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide

N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide (PubChem CID 119609996) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
PubChem CID119609996
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
SMILESNCC1CCCCC1NC(=O)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c19-15-9-7-13(8-10-15)18(24)21-11-3-6-17(23)22-16-5-2-1-4-14(16)12-20/h7-10,14,16H,1-6,11-12,20H2,(H,21,24)(H,22,23)
InChIKeyXSEHBNLFYJHEFW-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.97
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

4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 120554428
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887
N-[2-(aminomethyl)cyclohexyl]-4-(4-nitroanilino)butanamide;hydrochloride
CID 119611458
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide (CID 119609996) is N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide is NCC1CCCCC1NC(=O)CCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide?
The InChIKey is XSEHBNLFYJHEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-9-7-13(8-10-15)18(24)21-11-3-6-17(23)22-16-5-2-1-4-14(16)12-20/h7-10,14,16H,1-6,11-12,20H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide?
N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide has a molecular weight of 335.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide is sourced from PubChem (CID 119609996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).