4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide

C24H22Cl2FNO4 — CID 70810954

IUPAC4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)c(F)c1)N(CCO)CCO
InChIInChI=1S/C24H22Cl2FNO4/c25-18-8-5-16(6-9-18)23(19-3-1-2-4-20(19)26)32-22-10-7-17(15-21(22)27)24(31)28(11-13-29)12-14-30/h1-10,15,23,29-30H,11-14H2
InChIKeyQDWWHXRPMBRJNY-UHFFFAOYSA-N
MW478.35 g/mol
LogP4.73
Rot. Bonds9

About 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide

4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 70810954) has the molecular formula C24H22Cl2FNO4 and a molecular weight of 478.35 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID70810954
Molecular FormulaC24H22Cl2FNO4
Molecular Weight478.35 g/mol
Exact Mass477.09
IUPAC Name4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)c(F)c1)N(CCO)CCO
InChIInChI=1S/C24H22Cl2FNO4/c25-18-8-5-16(6-9-18)23(19-3-1-2-4-20(19)26)32-22-10-7-17(15-21(22)27)24(31)28(11-13-29)12-14-30/h1-10,15,23,29-30H,11-14H2
InChIKeyQDWWHXRPMBRJNY-UHFFFAOYSA-N
XLogP4.73
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2418216
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-[4-[2-(dimethylamino)ethoxy]benzoyl]piperidin-4-one;hydrochloride
CID 16111881
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-[4-(2-piperidin-1-ylethoxy)benzoyl]piperidin-4-one;hydrochloride
CID 16111889
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-[4-(2-morpholin-4-ylethoxy)benzoyl]piperidin-4-one;hydrochloride
CID 16111912
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
CID 24683818
[2-chloro-4-[[1-[[3-[(1R)-1-hydroxyoctyl]phenyl]methyl]-4-piperidyl]methoxy]phenyl]-(4-chlorophenyl)methanone
CID 57413115
3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 73350430
(2S,5R)-5-(2-chlorophenyl)-1-(4-((2-fluorobenzyl)oxy)benzoyl)pyrrolidine-2-carboxylic acid
CID 67256464
[3-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 155154203
(2-Chloro-4-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554024
2-[4-[(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-4-oxopiperidine-1-carbonyl]phenoxy]ethyl-diethyl-methylazanium iodide
CID 16111916
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-cyclohexyl-4-methoxybenzamide
CID 56658562

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide (CID 70810954) is 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide is O=C(c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)c(F)c1)N(CCO)CCO.
What is the InChIKey of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is QDWWHXRPMBRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FNO4/c25-18-8-5-16(6-9-18)23(19-3-1-2-4-20(19)26)32-22-10-7-17(15-21(22)27)24(31)28(11-13-29)12-14-30/h1-10,15,23,29-30H,11-14H2.
What are the key properties of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 478.35 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 70810954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).