2-[chloro(methoxy)methyl]benzamide

C9H10ClNO2 — CID 68766878

IUPAC2-[chloro(methoxy)methyl]benzamide
SMILESCOC(Cl)c1ccccc1C(N)=O
InChIInChI=1S/C9H10ClNO2/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyLZQQTVUGFWKSAP-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.67
Rot. Bonds3

About 2-[chloro(methoxy)methyl]benzamide

2-[chloro(methoxy)methyl]benzamide (PubChem CID 68766878) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-[chloro(methoxy)methyl]benzamide.

Molecular Properties

Compound Name2-[chloro(methoxy)methyl]benzamide
PubChem CID68766878
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-[chloro(methoxy)methyl]benzamide
SMILESCOC(Cl)c1ccccc1C(N)=O
InChIInChI=1S/C9H10ClNO2/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyLZQQTVUGFWKSAP-UHFFFAOYSA-N
XLogP1.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.67
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

methyl 2-(2-amino-1-chloro-2-oxoethyl)benzoate
CID 174762965
2-[hydroxy-(4-methoxyphenyl)methyl]benzamide
CID 101445139
methyl 2-[acetyloxy(chloro)methyl]benzoate
CID 140615653
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 140559982
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
2-(1-pyridin-1-ium-1-ylethyl)benzamide
CID 66877295
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[bromo(phenyl)methyl]benzamide
CID 175221886
2-(1,1,2,2-tetrachloroethyl)benzamide
CID 70168801
2-[1-(4-chlorophenyl)propan-2-yl]benzamide
CID 142688432

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(methoxy)methyl]benzamide?
The IUPAC name of 2-[chloro(methoxy)methyl]benzamide (CID 68766878) is 2-[chloro(methoxy)methyl]benzamide.
What is the SMILES notation for 2-[chloro(methoxy)methyl]benzamide?
The canonical SMILES for 2-[chloro(methoxy)methyl]benzamide is COC(Cl)c1ccccc1C(N)=O.
What is the InChIKey of 2-[chloro(methoxy)methyl]benzamide?
The InChIKey is LZQQTVUGFWKSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,8H,1H3,(H2,11,12).
What are the key properties of 2-[chloro(methoxy)methyl]benzamide?
2-[chloro(methoxy)methyl]benzamide has a molecular weight of 199.64 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(methoxy)methyl]benzamide is sourced from PubChem (CID 68766878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).