N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide

C19H20FN3O2 — CID 91650026

IUPACN-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide
SMILESC=CCN(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3O2/c1-3-12-23(2)19(25)21-13-14-4-6-15(7-5-14)18(24)22-17-10-8-16(20)9-11-17/h3-11H,1,12-13H2,2H3,(H,21,25)(H,22,24)
InChIKeyRELFJAFEGQIYRU-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.41
Rot. Bonds6

About N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide

N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide (PubChem CID 91650026) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide
PubChem CID91650026
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide
SMILESC=CCN(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3O2/c1-3-12-23(2)19(25)21-13-14-4-6-15(7-5-14)18(24)22-17-10-8-16(20)9-11-17/h3-11H,1,12-13H2,2H3,(H,21,25)(H,22,24)
InChIKeyRELFJAFEGQIYRU-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
CID 71917764
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide (CID 91650026) is N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide is C=CCN(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide?
The InChIKey is RELFJAFEGQIYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-3-12-23(2)19(25)21-13-14-4-6-15(7-5-14)18(24)22-17-10-8-16(20)9-11-17/h3-11H,1,12-13H2,2H3,(H,21,25)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide?
N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[[methyl(prop-2-enyl)carbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 91650026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).