2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide

C18H18ClFN2O3 — CID 100536807

IUPAC2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O3/c1-25-9-8-21-18(24)14-4-2-3-5-16(14)22-17(23)10-12-6-7-13(19)11-15(12)20/h2-7,11H,8-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyMGGUONMWSXJWHS-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.04
Rot. Bonds7

About 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide

2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 100536807) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID100536807
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O3/c1-25-9-8-21-18(24)14-4-2-3-5-16(14)22-17(23)10-12-6-7-13(19)11-15(12)20/h2-7,11H,8-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyMGGUONMWSXJWHS-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
CID 2090617
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[[2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2239418
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 100536807) is 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is MGGUONMWSXJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-25-9-8-21-18(24)14-4-2-3-5-16(14)22-17(23)10-12-6-7-13(19)11-15(12)20/h2-7,11H,8-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 364.80 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100536807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).