(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide

C16H15ClFNO2 — CID 26529894

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-11(21-15-5-3-2-4-14(15)17)16(20)19-10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyZTEXIMVPBYABRW-NSHDSACASA-N
MW307.75 g/mol
LogP3.56
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 26529894) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID26529894
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-11(21-15-5-3-2-4-14(15)17)16(20)19-10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyZTEXIMVPBYABRW-NSHDSACASA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43058982
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
CID 60528119
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide (CID 26529894) is (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide is C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is ZTEXIMVPBYABRW-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-11(21-15-5-3-2-4-14(15)17)16(20)19-10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 307.75 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 26529894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).