N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide

C16H16ClNO2 — CID 114304807

IUPACN-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2C(C)Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-11(17)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyACRNXAAJRNMZKF-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.25
Rot. Bonds4

About N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide

N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide (PubChem CID 114304807) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
PubChem CID114304807
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2C(C)Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-11(17)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyACRNXAAJRNMZKF-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.25
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

3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956
N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide
CID 19938149
N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114304802
3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 114304843
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
3-chloro-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 82879237
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide (CID 114304807) is N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2C(C)Cl)c1.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide?
The InChIKey is ACRNXAAJRNMZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(17)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide?
N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 114304807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).