3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide

C21H26FN3O3 — CID 87034699

IUPAC3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide
SMILESCC(C)OCCCNC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H26FN3O3/c1-15(2)28-11-5-10-23-21(27)24-14-16-6-3-9-19(12-16)25-20(26)17-7-4-8-18(22)13-17/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyHEWQRFXNZRJXHU-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.69
Rot. Bonds9

About 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide

3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide (PubChem CID 87034699) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide
PubChem CID87034699
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide
SMILESCC(C)OCCCNC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H26FN3O3/c1-15(2)28-11-5-10-23-21(27)24-14-16-6-3-9-19(12-16)25-20(26)17-7-4-8-18(22)13-17/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyHEWQRFXNZRJXHU-UHFFFAOYSA-N
XLogP3.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
CID 119039957
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
3-fluoro-N-[3-[[3-(3-fluorophenyl)prop-2-enoylamino]methyl]phenyl]benzamide
CID 55894437
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
N-[3-[[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55947736

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide (CID 87034699) is 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide is CC(C)OCCCNC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide?
The InChIKey is HEWQRFXNZRJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15(2)28-11-5-10-23-21(27)24-14-16-6-3-9-19(12-16)25-20(26)17-7-4-8-18(22)13-17/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide?
3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 87034699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).