N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide

C32H31FN2O3 — CID 141425677

IUPACN-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C32H31FN2O3/c33-30-22-28(14-15-31(30)37-19-18-35-16-4-5-17-35)34-32(36)27-12-6-10-25(20-27)26-11-7-13-29(21-26)38-23-24-8-2-1-3-9-24/h1-3,6-15,20-22H,4-5,16-19,23H2,(H,34,36)
InChIKeyNKOWXROVQMBNEO-UHFFFAOYSA-N
MW510.61 g/mol
LogP6.80
Rot. Bonds10

About N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide

N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide (PubChem CID 141425677) has the molecular formula C32H31FN2O3 and a molecular weight of 510.61 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide
PubChem CID141425677
Molecular FormulaC32H31FN2O3
Molecular Weight510.61 g/mol
Exact Mass510.23
IUPAC NameN-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C32H31FN2O3/c33-30-22-28(14-15-31(30)37-19-18-35-16-4-5-17-35)34-32(36)27-12-6-10-25(20-27)26-11-7-13-29(21-26)38-23-24-8-2-1-3-9-24/h1-3,6-15,20-22H,4-5,16-19,23H2,(H,34,36)
InChIKeyNKOWXROVQMBNEO-UHFFFAOYSA-N
XLogP6.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
CID 141436174
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
CID 122218723
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
1-(3-fluoro-4-methoxyphenyl)-3-[4-[[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]naphthalen-1-yl]urea
CID 169040107

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide (CID 141425677) is N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is NKOWXROVQMBNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2O3/c33-30-22-28(14-15-31(30)37-19-18-35-16-4-5-17-35)34-32(36)27-12-6-10-25(20-27)26-11-7-13-29(21-26)38-23-24-8-2-1-3-9-24/h1-3,6-15,20-22H,4-5,16-19,23H2,(H,34,36).
What are the key properties of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide?
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 510.61 g/mol, XLogP of 6.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 141425677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).