N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide

C16H16ClNO3 — CID 114298485

IUPACN-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-13-7-12(8-14(9-13)21-2)16(19)18-15-6-4-3-5-11(15)10-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDFQAORKFPJHQEZ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide

N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 114298485) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID114298485
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-13-7-12(8-14(9-13)21-2)16(19)18-15-6-4-3-5-11(15)10-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDFQAORKFPJHQEZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
CID 114298463
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
N-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]-3,5-dimethoxybenzamide
CID 143409221

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide (CID 114298485) is N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccccc2CCl)c1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is DFQAORKFPJHQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-13-7-12(8-14(9-13)21-2)16(19)18-15-6-4-3-5-11(15)10-17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide?
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 114298485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).