N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide

C21H26FN3O2 — CID 119762425

IUPACN-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
SMILESNCCCCCCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O2/c22-18-10-8-17(9-11-18)21(27)25-19-12-6-16(7-13-19)15-24-20(26)5-3-1-2-4-14-23/h6-13H,1-5,14-15,23H2,(H,24,26)(H,25,27)
InChIKeyZHKPVJGTSLFWFG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.60
Rot. Bonds10

About N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide

N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide (PubChem CID 119762425) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
PubChem CID119762425
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
SMILESNCCCCCCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O2/c22-18-10-8-17(9-11-18)21(27)25-19-12-6-16(7-13-19)15-24-20(26)5-3-1-2-4-14-23/h6-13H,1-5,14-15,23H2,(H,24,26)(H,25,27)
InChIKeyZHKPVJGTSLFWFG-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.60
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-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide (CID 119762425) is N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide is NCCCCCCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide?
The InChIKey is ZHKPVJGTSLFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-18-10-8-17(9-11-18)21(27)25-19-12-6-16(7-13-19)15-24-20(26)5-3-1-2-4-14-23/h6-13H,1-5,14-15,23H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide?
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 119762425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).