4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide

C18H20ClNO2 — CID 892992

IUPAC4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-20(4-2)18(21)15-11-9-14(10-12-15)13-22-17-8-6-5-7-16(17)19/h5-12H,3-4,13H2,1-2H3
InChIKeyRGDSHHKCSXVYIK-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.40
Rot. Bonds6

About 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide

4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide (PubChem CID 892992) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
PubChem CID892992
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-20(4-2)18(21)15-11-9-14(10-12-15)13-22-17-8-6-5-7-16(17)19/h5-12H,3-4,13H2,1-2H3
InChIKeyRGDSHHKCSXVYIK-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 11293990
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
CID 27744494
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
[4-[(2-chlorophenoxy)methyl]phenyl]-(cyclohepten-1-yl)methanone
CID 177185601

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide (CID 892992) is 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide?
The InChIKey is RGDSHHKCSXVYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-20(4-2)18(21)15-11-9-14(10-12-15)13-22-17-8-6-5-7-16(17)19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide?
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 892992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).