4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide

C18H19FN4O3 — CID 87003303

IUPAC4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN4O3/c1-23(2)17(25)14-5-3-12(4-6-14)11-20-18(26)22-21-16(24)13-7-9-15(19)10-8-13/h3-10H,11H2,1-2H3,(H,21,24)(H2,20,22,26)
InChIKeyMHQHSLYXKGIKDS-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.67
Rot. Bonds4

About 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide

4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 87003303) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide
PubChem CID87003303
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN4O3/c1-23(2)17(25)14-5-3-12(4-6-14)11-20-18(26)22-21-16(24)13-7-9-15(19)10-8-13/h3-10H,11H2,1-2H3,(H,21,24)(H2,20,22,26)
InChIKeyMHQHSLYXKGIKDS-UHFFFAOYSA-N
XLogP1.67
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24640870
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
CID 134039163
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227

Frequently Asked Questions

What is the IUPAC name of 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide (CID 87003303) is 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is MHQHSLYXKGIKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-23(2)17(25)14-5-3-12(4-6-14)11-20-18(26)22-21-16(24)13-7-9-15(19)10-8-13/h3-10H,11H2,1-2H3,(H,21,24)(H2,20,22,26).
What are the key properties of 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide?
4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 358.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(4-fluorobenzoyl)amino]carbamoylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 87003303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).