4-bromo-3-[chloro(methoxy)methyl]benzamide

C9H9BrClNO2 — CID 91430417

IUPAC4-bromo-3-[chloro(methoxy)methyl]benzamide
SMILESCOC(Cl)c1cc(C(N)=O)ccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,8H,1H3,(H2,12,13)
InChIKeyPNXSYUDUNQWXSJ-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.43
Rot. Bonds3

About 4-bromo-3-[chloro(methoxy)methyl]benzamide

4-bromo-3-[chloro(methoxy)methyl]benzamide (PubChem CID 91430417) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 4-bromo-3-[chloro(methoxy)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-[chloro(methoxy)methyl]benzamide
PubChem CID91430417
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name4-bromo-3-[chloro(methoxy)methyl]benzamide
SMILESCOC(Cl)c1cc(C(N)=O)ccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,8H,1H3,(H2,12,13)
InChIKeyPNXSYUDUNQWXSJ-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro(methoxy)methyl]benzamide
CID 68766878
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
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4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
CID 167892759
6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
3-[ethoxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 91069270
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869396
ethyl 4-bromo-3-(1-bromoethyl)benzoate
CID 174587875
3-[bromo(methoxy)methyl]benzamide
CID 57281068
3-[(1S)-1-aminopropyl]-4-bromobenzoic acid
CID 130730196
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[chloro(methoxy)methyl]benzamide?
The IUPAC name of 4-bromo-3-[chloro(methoxy)methyl]benzamide (CID 91430417) is 4-bromo-3-[chloro(methoxy)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-[chloro(methoxy)methyl]benzamide?
The canonical SMILES for 4-bromo-3-[chloro(methoxy)methyl]benzamide is COC(Cl)c1cc(C(N)=O)ccc1Br.
What is the InChIKey of 4-bromo-3-[chloro(methoxy)methyl]benzamide?
The InChIKey is PNXSYUDUNQWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,8H,1H3,(H2,12,13).
What are the key properties of 4-bromo-3-[chloro(methoxy)methyl]benzamide?
4-bromo-3-[chloro(methoxy)methyl]benzamide has a molecular weight of 278.53 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[chloro(methoxy)methyl]benzamide is sourced from PubChem (CID 91430417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).