5-chloro-N,N-diethyl-2-phenylmethoxybenzamide

C18H20ClNO2 — CID 8799985

IUPAC5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-3-20(4-2)18(21)16-12-15(19)10-11-17(16)22-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyDQPLNSMDYITCNM-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.40
Rot. Bonds6

About 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide

5-chloro-N,N-diethyl-2-phenylmethoxybenzamide (PubChem CID 8799985) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
PubChem CID8799985
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-3-20(4-2)18(21)16-12-15(19)10-11-17(16)22-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyDQPLNSMDYITCNM-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

5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
CID 8813101
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium
CID 84838759
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
CID 892992
(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide?
The IUPAC name of 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide (CID 8799985) is 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide?
The canonical SMILES for 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide is CCN(CC)C(=O)c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide?
The InChIKey is DQPLNSMDYITCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-20(4-2)18(21)16-12-15(19)10-11-17(16)22-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide?
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide 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 5-chloro-N,N-diethyl-2-phenylmethoxybenzamide is sourced from PubChem (CID 8799985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).