2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C17H18ClNO2 — CID 75806999

IUPAC2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-12(13-8-5-7-11-16(13)21-3)19(2)17(20)14-9-4-6-10-15(14)18/h4-12H,1-3H3
InChIKeyVTDDNKBTNMPYOE-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.18
Rot. Bonds4

About 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 75806999) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID75806999
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-12(13-8-5-7-11-16(13)21-3)19(2)17(20)14-9-4-6-10-15(14)18/h4-12H,1-3H3
InChIKeyVTDDNKBTNMPYOE-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95571609
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-2-nitrobenzamide
CID 32629259
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide
CID 55912370
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 75806999) is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is VTDDNKBTNMPYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(13-8-5-7-11-16(13)21-3)19(2)17(20)14-9-4-6-10-15(14)18/h4-12H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 75806999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).