N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide

C24H23FN2O4 — CID 55975456

IUPACN-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCNC(=O)c2ccccc2F)ccc1OCc1ccccc1
InChIInChI=1S/C24H23FN2O4/c1-30-22-15-18(11-12-21(22)31-16-17-7-3-2-4-8-17)23(28)26-13-14-27-24(29)19-9-5-6-10-20(19)25/h2-12,15H,13-14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyIREJSACMKLEBRF-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.57
Rot. Bonds9

About N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide

N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 55975456) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID55975456
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCNC(=O)c2ccccc2F)ccc1OCc1ccccc1
InChIInChI=1S/C24H23FN2O4/c1-30-22-15-18(11-12-21(22)31-16-17-7-3-2-4-8-17)23(28)26-13-14-27-24(29)19-9-5-6-10-20(19)25/h2-12,15H,13-14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyIREJSACMKLEBRF-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
2-fluoro-N-[3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3450475
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
CID 86885388

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide (CID 55975456) is N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCNC(=O)c2ccccc2F)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is IREJSACMKLEBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-30-22-15-18(11-12-21(22)31-16-17-7-3-2-4-8-17)23(28)26-13-14-27-24(29)19-9-5-6-10-20(19)25/h2-12,15H,13-14,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 422.46 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 55975456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).