N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide

C24H24FN3O2 — CID 23824934

IUPACN-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
SMILESNCCCN(Cc1cccc(NC(=O)c2cccc(F)c2)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H24FN3O2/c25-21-11-5-10-20(16-21)23(29)27-22-12-4-7-18(15-22)17-28(14-6-13-26)24(30)19-8-2-1-3-9-19/h1-5,7-12,15-16H,6,13-14,17,26H2,(H,27,29)
InChIKeyYYTVWXADEABXJE-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.07
Rot. Bonds8

About N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide

N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide (PubChem CID 23824934) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
PubChem CID23824934
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
SMILESNCCCN(Cc1cccc(NC(=O)c2cccc(F)c2)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H24FN3O2/c25-21-11-5-10-20(16-21)23(29)27-22-12-4-7-18(15-22)17-28(14-6-13-26)24(30)19-8-2-1-3-9-19/h1-5,7-12,15-16H,6,13-14,17,26H2,(H,27,29)
InChIKeyYYTVWXADEABXJE-UHFFFAOYSA-N
XLogP4.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
N-(3-aminopropyl)-3-fluoro-N-[[4-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide
CID 23828380
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23961115
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
CID 23855130
N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide
CID 23913299
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
N-[3-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23799827
N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23962180

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide (CID 23824934) is N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide is NCCCN(Cc1cccc(NC(=O)c2cccc(F)c2)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide?
The InChIKey is YYTVWXADEABXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-21-11-5-10-20(16-21)23(29)27-22-12-4-7-18(15-22)17-28(14-6-13-26)24(30)19-8-2-1-3-9-19/h1-5,7-12,15-16H,6,13-14,17,26H2,(H,27,29).
What are the key properties of N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide?
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide has a molecular weight of 405.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 23824934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).