2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide

C16H14ClFN2O3 — CID 46569659

IUPAC2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c1-23-9-15(21)19-11-3-2-4-12(8-11)20-16(22)13-6-5-10(18)7-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyNGHWNJULCQDLEZ-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.32
Rot. Bonds5

About 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide

2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide (PubChem CID 46569659) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
PubChem CID46569659
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c1-23-9-15(21)19-11-3-2-4-12(8-11)20-16(22)13-6-5-10(18)7-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyNGHWNJULCQDLEZ-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide (CID 46569659) is 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide is COCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
The InChIKey is NGHWNJULCQDLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-23-9-15(21)19-11-3-2-4-12(8-11)20-16(22)13-6-5-10(18)7-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide?
2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide has a molecular weight of 336.75 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 46569659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).