N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide

C23H21ClFNO5 — CID 72704750

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c(O)c1
InChIInChI=1S/C23H21ClFNO5/c1-29-9-10-30-18-6-7-19(21(27)13-18)23(28)26-17-5-8-22(20(24)12-17)31-14-15-3-2-4-16(25)11-15/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,28)
InChIKeyWNYXWMKWNAMSFY-UHFFFAOYSA-N
MW445.87 g/mol
LogP5.04
Rot. Bonds9

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide (PubChem CID 72704750) has the molecular formula C23H21ClFNO5 and a molecular weight of 445.87 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
PubChem CID72704750
Molecular FormulaC23H21ClFNO5
Molecular Weight445.87 g/mol
Exact Mass445.11
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c(O)c1
InChIInChI=1S/C23H21ClFNO5/c1-29-9-10-30-18-6-7-19(21(27)13-18)23(28)26-17-5-8-22(20(24)12-17)31-14-15-3-2-4-16(25)11-15/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,28)
InChIKeyWNYXWMKWNAMSFY-UHFFFAOYSA-N
XLogP5.04
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.87
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
CID 33065215
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
2-amino-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-(2-methoxyethoxy)quinazolin-6-yl]propanamide
CID 77269267
N-[4-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 10299114
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114293188

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide (CID 72704750) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c(O)c1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide?
The InChIKey is WNYXWMKWNAMSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO5/c1-29-9-10-30-18-6-7-19(21(27)13-18)23(28)26-17-5-8-22(20(24)12-17)31-14-15-3-2-4-16(25)11-15/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,28).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide has a molecular weight of 445.87 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 72704750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).