N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide

C31H30FNO3 — CID 44623963

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide
SMILESCOc1ccc(-c2ccc(OCCc3ccccc3)c(C(=O)NCCc3ccccc3F)c2)c(C)c1
InChIInChI=1S/C31H30FNO3/c1-22-20-26(35-2)13-14-27(22)25-12-15-30(36-19-17-23-8-4-3-5-9-23)28(21-25)31(34)33-18-16-24-10-6-7-11-29(24)32/h3-15,20-21H,16-19H2,1-2H3,(H,33,34)
InChIKeyUSBHVOINGOBXGQ-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.40
Rot. Bonds10

About N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide

N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 44623963) has the molecular formula C31H30FNO3 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide
PubChem CID44623963
Molecular FormulaC31H30FNO3
Molecular Weight483.58 g/mol
Exact Mass483.22
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide
SMILESCOc1ccc(-c2ccc(OCCc3ccccc3)c(C(=O)NCCc3ccccc3F)c2)c(C)c1
InChIInChI=1S/C31H30FNO3/c1-22-20-26(35-2)13-14-27(22)25-12-15-30(36-19-17-23-8-4-3-5-9-23)28(21-25)31(34)33-18-16-24-10-6-7-11-29(24)32/h3-15,20-21H,16-19H2,1-2H3,(H,33,34)
InChIKeyUSBHVOINGOBXGQ-UHFFFAOYSA-N
XLogP6.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate
CID 67504979
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
4-[4-[2-[(2-butoxy-5-chlorobenzoyl)amino]ethyl]phenyl]-3-methylbenzoic acid
CID 25270477
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide (CID 44623963) is N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide is COc1ccc(-c2ccc(OCCc3ccccc3)c(C(=O)NCCc3ccccc3F)c2)c(C)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is USBHVOINGOBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FNO3/c1-22-20-26(35-2)13-14-27(22)25-12-15-30(36-19-17-23-8-4-3-5-9-23)28(21-25)31(34)33-18-16-24-10-6-7-11-29(24)32/h3-15,20-21H,16-19H2,1-2H3,(H,33,34).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide?
N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 483.58 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 44623963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).