N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide

C19H27F2N3O2 — CID 119590822

IUPACN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESNCC(NC(=O)CCCNC(=O)c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C19H27F2N3O2/c20-14-8-9-15(16(21)11-14)19(26)23-10-4-7-18(25)24-17(12-22)13-5-2-1-3-6-13/h8-9,11,13,17H,1-7,10,12,22H2,(H,23,26)(H,24,25)
InChIKeyARIJEWRIEJRZJW-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.50
Rot. Bonds8

About N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide

N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 119590822) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID119590822
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESNCC(NC(=O)CCCNC(=O)c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C19H27F2N3O2/c20-14-8-9-15(16(21)11-14)19(26)23-10-4-7-18(25)24-17(12-22)13-5-2-1-3-6-13/h8-9,11,13,17H,1-7,10,12,22H2,(H,23,26)(H,24,25)
InChIKeyARIJEWRIEJRZJW-UHFFFAOYSA-N
XLogP2.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.50
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-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
2,4-difluoro-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119427082
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide (CID 119590822) is N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide is NCC(NC(=O)CCCNC(=O)c1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is ARIJEWRIEJRZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c20-14-8-9-15(16(21)11-14)19(26)23-10-4-7-18(25)24-17(12-22)13-5-2-1-3-6-13/h8-9,11,13,17H,1-7,10,12,22H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 367.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 119590822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).