4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide

C15H13Cl2NO2 — CID 114298257

IUPAC4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccccc1CCl
InChIInChI=1S/C15H13Cl2NO2/c1-20-14-8-11(17)6-7-12(14)15(19)18-13-5-3-2-4-10(13)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMHUDCVXAKXLABI-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.34
Rot. Bonds4

About 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide

4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide (PubChem CID 114298257) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
PubChem CID114298257
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccccc1CCl
InChIInChI=1S/C15H13Cl2NO2/c1-20-14-8-11(17)6-7-12(14)15(19)18-13-5-3-2-4-10(13)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMHUDCVXAKXLABI-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.34
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

N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
4-chloro-N-[4-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 64794839
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide (CID 114298257) is 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)Nc1ccccc1CCl.
What is the InChIKey of 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide?
The InChIKey is MHUDCVXAKXLABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-20-14-8-11(17)6-7-12(14)15(19)18-13-5-3-2-4-10(13)9-16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide?
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide has a molecular weight of 310.18 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 114298257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).