3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide

C20H13ClFNO3 — CID 166155656

IUPAC3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide
SMILESO=Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C20H13ClFNO3/c21-15-9-14(10-16(22)11-15)20(25)23-17-5-7-18(8-6-17)26-19-4-2-1-3-13(19)12-24/h1-12H,(H,23,25)
InChIKeyDFBCALCQGYNCPO-UHFFFAOYSA-N
MW369.78 g/mol
LogP5.34
Rot. Bonds5

About 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide

3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide (PubChem CID 166155656) has the molecular formula C20H13ClFNO3 and a molecular weight of 369.78 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide
PubChem CID166155656
Molecular FormulaC20H13ClFNO3
Molecular Weight369.78 g/mol
Exact Mass369.06
IUPAC Name3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide
SMILESO=Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C20H13ClFNO3/c21-15-9-14(10-16(22)11-15)20(25)23-17-5-7-18(8-6-17)26-19-4-2-1-3-13(19)12-24/h1-12H,(H,23,25)
InChIKeyDFBCALCQGYNCPO-UHFFFAOYSA-N
XLogP5.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.78
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-bromo-4-(4-fluorophenoxy)phenyl]-3-chlorobenzamide
CID 11441566
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-fluoro-5-formyl-4-hydroxy-N-phenylbenzamide
CID 155143444
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
2-fluoro-5-(2-formylphenoxy)benzonitrile
CID 90204991
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
2-(4-bromophenoxy)benzaldehyde
CID 28604058

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide (CID 166155656) is 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide is O=Cc1ccccc1Oc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide?
The InChIKey is DFBCALCQGYNCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO3/c21-15-9-14(10-16(22)11-15)20(25)23-17-5-7-18(8-6-17)26-19-4-2-1-3-13(19)12-24/h1-12H,(H,23,25).
What are the key properties of 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide?
3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide has a molecular weight of 369.78 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[4-(2-formylphenoxy)phenyl]benzamide is sourced from PubChem (CID 166155656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).