4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide

C21H24ClNO3 — CID 119071766

IUPAC4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide
SMILESCCN(C(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1)C1CCOCC1
InChIInChI=1S/C21H24ClNO3/c1-3-23(18-10-12-26-13-11-18)21(24)16-6-4-15(5-7-16)19-14-17(22)8-9-20(19)25-2/h4-9,14,18H,3,10-13H2,1-2H3
InChIKeyOTCYZKSFUKVCEA-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.66
Rot. Bonds5

About 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide

4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide (PubChem CID 119071766) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide
PubChem CID119071766
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide
SMILESCCN(C(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1)C1CCOCC1
InChIInChI=1S/C21H24ClNO3/c1-3-23(18-10-12-26-13-11-18)21(24)16-6-4-15(5-7-16)19-14-17(22)8-9-20(19)25-2/h4-9,14,18H,3,10-13H2,1-2H3
InChIKeyOTCYZKSFUKVCEA-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
CID 90607046
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide
CID 91798105
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
N-cyclopropyl-4-(3,4-difluorophenyl)-N-ethylbenzamide
CID 119065438
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
N-ethyl-N-(oxan-4-yl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104170
N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 118771065
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide (CID 119071766) is 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide is CCN(C(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1)C1CCOCC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide?
The InChIKey is OTCYZKSFUKVCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-3-23(18-10-12-26-13-11-18)21(24)16-6-4-15(5-7-16)19-14-17(22)8-9-20(19)25-2/h4-9,14,18H,3,10-13H2,1-2H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide?
4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide has a molecular weight of 373.88 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 119071766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).