N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C20H24FN3O3 — CID 9425271

IUPACN-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NCCOc2ccccc2F)cc1
InChIInChI=1S/C20H24FN3O3/c1-14(2)24-20(26)23-13-15-7-9-16(10-8-15)19(25)22-11-12-27-18-6-4-3-5-17(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyRCMKDURXPCSHRS-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.84
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 9425271) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID9425271
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NCCOc2ccccc2F)cc1
InChIInChI=1S/C20H24FN3O3/c1-14(2)24-20(26)23-13-15-7-9-16(10-8-15)19(25)22-11-12-27-18-6-4-3-5-17(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyRCMKDURXPCSHRS-UHFFFAOYSA-N
XLogP2.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.84
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

4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
CID 30236258
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-(3-phenylsulfanylpropyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9156837
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112970190
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 9425271) is N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC(C)NC(=O)NCc1ccc(C(=O)NCCOc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is RCMKDURXPCSHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-14(2)24-20(26)23-13-15-7-9-16(10-8-15)19(25)22-11-12-27-18-6-4-3-5-17(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 9425271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).