(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide

C16H15ClFNO2 — CID 673599

IUPAC(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNO2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-11-8-9-14(18)13(17)10-11/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJNPWUZXLJHEHNB-HNNXBMFYSA-N
MW307.75 g/mol
LogP4.28
Rot. Bonds5

About (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide

(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide (PubChem CID 673599) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
PubChem CID673599
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNO2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-11-8-9-14(18)13(17)10-11/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJNPWUZXLJHEHNB-HNNXBMFYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
methyl 2-chloro-5-[[(2R)-2-phenoxybutanoyl]amino]benzoate
CID 40747377
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
CID 9173008
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide?
The IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide (CID 673599) is (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide?
The InChIKey is JNPWUZXLJHEHNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-15(21-12-6-4-3-5-7-12)16(20)19-11-8-9-14(18)13(17)10-11/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide?
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide has a molecular weight of 307.75 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 673599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).