N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide

C16H15ClFNO2 — CID 51158751

IUPACN-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO2/c17-13-5-3-4-12(10-13)11-19-16(20)8-9-21-15-7-2-1-6-14(15)18/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeySRGZJCWPFHDOMF-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.56
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide

N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide (PubChem CID 51158751) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
PubChem CID51158751
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO2/c17-13-5-3-4-12(10-13)11-19-16(20)8-9-21-15-7-2-1-6-14(15)18/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeySRGZJCWPFHDOMF-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 47035459
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-(2-fluorophenoxy)butanamide
CID 55961180

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide (CID 51158751) is N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide is O=C(CCOc1ccccc1F)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is SRGZJCWPFHDOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-13-5-3-4-12(10-13)11-19-16(20)8-9-21-15-7-2-1-6-14(15)18/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide?
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 307.75 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 51158751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).