2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid

C19H22FNO4 — CID 141189042

IUPAC2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid
SMILESCOc1ccc(CCO)cc1CN(CCc1ccccc1F)C(=O)O
InChIInChI=1S/C19H22FNO4/c1-25-18-7-6-14(9-11-22)12-16(18)13-21(19(23)24)10-8-15-4-2-3-5-17(15)20/h2-7,12,22H,8-11,13H2,1H3,(H,23,24)
InChIKeyCQSZZMKLOQBAJQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.09
Rot. Bonds8

About 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid

2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid (PubChem CID 141189042) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid
PubChem CID141189042
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid
SMILESCOc1ccc(CCO)cc1CN(CCc1ccccc1F)C(=O)O
InChIInChI=1S/C19H22FNO4/c1-25-18-7-6-14(9-11-22)12-16(18)13-21(19(23)24)10-8-15-4-2-3-5-17(15)20/h2-7,12,22H,8-11,13H2,1H3,(H,23,24)
InChIKeyCQSZZMKLOQBAJQ-UHFFFAOYSA-N
XLogP3.09
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
3-chloro-2-[2-[2-(2-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoic acid
CID 110160992
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
3-tert-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]urea
CID 42695299
3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901348
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
3-[2-(2,5-dimethoxyphenyl)ethyl-[2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoyl]amino]propanoic acid
CID 69434197
N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 42773961
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid?
The IUPAC name of 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid (CID 141189042) is 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid?
The canonical SMILES for 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid is COc1ccc(CCO)cc1CN(CCc1ccccc1F)C(=O)O.
What is the InChIKey of 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid?
The InChIKey is CQSZZMKLOQBAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-25-18-7-6-14(9-11-22)12-16(18)13-21(19(23)24)10-8-15-4-2-3-5-17(15)20/h2-7,12,22H,8-11,13H2,1H3,(H,23,24).
What are the key properties of 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid?
2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid has a molecular weight of 347.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl-[[5-(2-hydroxyethyl)-2-methoxyphenyl]methyl]carbamic acid is sourced from PubChem (CID 141189042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).