N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide

C19H22FN3O2 — CID 56787694

IUPACN-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
SMILESCN(Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-23(14-15-6-3-2-4-7-15)19(25)22-13-5-12-21-18(24)16-8-10-17(20)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeySXRKFVSEXPXOTF-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.79
Rot. Bonds7

About N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide

N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide (PubChem CID 56787694) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
PubChem CID56787694
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
SMILESCN(Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-23(14-15-6-3-2-4-7-15)19(25)22-13-5-12-21-18(24)16-8-10-17(20)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeySXRKFVSEXPXOTF-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618292
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 56504949
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-[2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111306707
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840

Frequently Asked Questions

What is the IUPAC name of N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide (CID 56787694) is N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide is CN(Cc1ccccc1)C(=O)NCCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide?
The InChIKey is SXRKFVSEXPXOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-23(14-15-6-3-2-4-7-15)19(25)22-13-5-12-21-18(24)16-8-10-17(20)11-9-16/h2-4,6-11H,5,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide?
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide is sourced from PubChem (CID 56787694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).