N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide

C18H20FN3O2 — CID 156825130

IUPACN-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-2-17(23)20-11-14-5-9-16(10-6-14)22-18(24)21-12-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyZDQPUONKSFKMKT-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide

N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide (PubChem CID 156825130) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
PubChem CID156825130
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-2-17(23)20-11-14-5-9-16(10-6-14)22-18(24)21-12-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyZDQPUONKSFKMKT-UHFFFAOYSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
N-[[4-(ethylamino)phenyl]methyl]propanamide
CID 59197954
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide (CID 156825130) is N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide is CCC(=O)NCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide?
The InChIKey is ZDQPUONKSFKMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-17(23)20-11-14-5-9-16(10-6-14)22-18(24)21-12-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide?
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide has a molecular weight of 329.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide is sourced from PubChem (CID 156825130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).