N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide

C17H18ClNO2 — CID 114299336

IUPACN-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-3-8-16(21-2)15(11-12)17(20)19-14-6-4-13(5-7-14)9-10-18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyCGHDVNYJNNKGFU-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide

N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide (PubChem CID 114299336) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
PubChem CID114299336
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12-3-8-16(21-2)15(11-12)17(20)19-14-6-4-13(5-7-14)9-10-18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyCGHDVNYJNNKGFU-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.04
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

2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide (CID 114299336) is N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1ccc(CCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide?
The InChIKey is CGHDVNYJNNKGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-3-8-16(21-2)15(11-12)17(20)19-14-6-4-13(5-7-14)9-10-18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide?
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 114299336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).