2-(3-chloro-2-formylphenoxy)benzamide

C14H10ClNO3 — CID 28603903

IUPAC2-(3-chloro-2-formylphenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1cccc(Cl)c1C=O
InChIInChI=1S/C14H10ClNO3/c15-11-5-3-7-13(10(11)8-17)19-12-6-2-1-4-9(12)14(16)18/h1-8H,(H2,16,18)
InChIKeyBPCQAKWVDVSQAP-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-chloro-2-formylphenoxy)benzamide

2-(3-chloro-2-formylphenoxy)benzamide (PubChem CID 28603903) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 2-(3-chloro-2-formylphenoxy)benzamide.

Molecular Properties

Compound Name2-(3-chloro-2-formylphenoxy)benzamide
PubChem CID28603903
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name2-(3-chloro-2-formylphenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1cccc(Cl)c1C=O
InChIInChI=1S/C14H10ClNO3/c15-11-5-3-7-13(10(11)8-17)19-12-6-2-1-4-9(12)14(16)18/h1-8H,(H2,16,18)
InChIKeyBPCQAKWVDVSQAP-UHFFFAOYSA-N
XLogP3.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.04
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

2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-(3-chloro-2-nitrophenoxy)benzamide
CID 104835314
2-[3-chloro-2-(methylaminomethyl)phenoxy]benzamide
CID 43282446
2-(4-carbamothioyl-2-chlorophenoxy)benzamide
CID 63088987
2-(2-amino-5-chlorophenoxy)benzamide
CID 113315871
2-(5-bromo-2-formylphenoxy)benzamide
CID 43364679
2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
2-(5-formylpyrimidin-2-yl)oxybenzamide
CID 113387686
2-(2,2-dichloroethenoxy)benzamide
CID 141007549
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81144706
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
ethyl 2-(3-chloro-2-formylphenoxy)pentanoate
CID 83041251

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-formylphenoxy)benzamide?
The IUPAC name of 2-(3-chloro-2-formylphenoxy)benzamide (CID 28603903) is 2-(3-chloro-2-formylphenoxy)benzamide.
What is the SMILES notation for 2-(3-chloro-2-formylphenoxy)benzamide?
The canonical SMILES for 2-(3-chloro-2-formylphenoxy)benzamide is NC(=O)c1ccccc1Oc1cccc(Cl)c1C=O.
What is the InChIKey of 2-(3-chloro-2-formylphenoxy)benzamide?
The InChIKey is BPCQAKWVDVSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-11-5-3-7-13(10(11)8-17)19-12-6-2-1-4-9(12)14(16)18/h1-8H,(H2,16,18).
What are the key properties of 2-(3-chloro-2-formylphenoxy)benzamide?
2-(3-chloro-2-formylphenoxy)benzamide has a molecular weight of 275.69 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-formylphenoxy)benzamide is sourced from PubChem (CID 28603903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).