2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride

C16H14ClNO3 — CID 142115034

IUPAC2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
SMILESCOCc1cccc(NC(=O)c2ccccc2C(=O)Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-21-10-11-5-4-6-12(9-11)18-16(20)14-8-3-2-7-13(14)15(17)19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyUNDPYCVVNGJRKC-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.46
Rot. Bonds5

About 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride

2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride (PubChem CID 142115034) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
PubChem CID142115034
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
SMILESCOCc1cccc(NC(=O)c2ccccc2C(=O)Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-21-10-11-5-4-6-12(9-11)18-16(20)14-8-3-2-7-13(14)15(17)19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyUNDPYCVVNGJRKC-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
CID 107025437
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride (CID 142115034) is 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride is COCc1cccc(NC(=O)c2ccccc2C(=O)Cl)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride?
The InChIKey is UNDPYCVVNGJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-10-11-5-4-6-12(9-11)18-16(20)14-8-3-2-7-13(14)15(17)19/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride?
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride has a molecular weight of 303.75 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride is sourced from PubChem (CID 142115034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).