3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide

C16H14ClFN2O3 — CID 32636811

IUPAC3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c17-13-7-12(18)4-5-14(13)23-9-15(21)20-8-10-2-1-3-11(6-10)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21)
InChIKeyGHAJWELZGVAASJ-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.27
Rot. Bonds6

About 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide

3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide (PubChem CID 32636811) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
PubChem CID32636811
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H14ClFN2O3/c17-13-7-12(18)4-5-14(13)23-9-15(21)20-8-10-2-1-3-11(6-10)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21)
InChIKeyGHAJWELZGVAASJ-UHFFFAOYSA-N
XLogP2.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41498200
2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112978965
4-[4-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247252
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide (CID 32636811) is 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide is NC(=O)c1cccc(CNC(=O)COc2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide?
The InChIKey is GHAJWELZGVAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-13-7-12(18)4-5-14(13)23-9-15(21)20-8-10-2-1-3-11(6-10)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide?
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide has a molecular weight of 336.75 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 32636811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).