2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

C18H18F2N2O3 — CID 17406382

IUPAC2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2F)cc1F
InChIInChI=1S/C18H18F2N2O3/c1-11(12-7-8-16(25-2)15(20)9-12)22-17(23)10-21-18(24)13-5-3-4-6-14(13)19/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHWGQVSVETDHEBI-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.58
Rot. Bonds6

About 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 17406382) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID17406382
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2F)cc1F
InChIInChI=1S/C18H18F2N2O3/c1-11(12-7-8-16(25-2)15(20)9-12)22-17(23)10-21-18(24)13-5-3-4-6-14(13)19/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHWGQVSVETDHEBI-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (CID 17406382) is 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is COc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is HWGQVSVETDHEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(12-7-8-16(25-2)15(20)9-12)22-17(23)10-21-18(24)13-5-3-4-6-14(13)19/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17406382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).