(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide

C15H12Cl2FNO2 — CID 40721189

IUPAC(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2FNO2/c1-9(21-12-5-2-10(18)3-6-12)15(20)19-11-4-7-13(16)14(17)8-11/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyNWEQMMPONQXHHZ-SECBINFHSA-N
MW328.17 g/mol
LogP4.54
Rot. Bonds4

About (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide

(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 40721189) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID40721189
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2FNO2/c1-9(21-12-5-2-10(18)3-6-12)15(20)19-11-4-7-13(16)14(17)8-11/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyNWEQMMPONQXHHZ-SECBINFHSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 43081016
methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
CID 26074860
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide (CID 40721189) is (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is NWEQMMPONQXHHZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c1-9(21-12-5-2-10(18)3-6-12)15(20)19-11-4-7-13(16)14(17)8-11/h2-9H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide?
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 328.17 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 40721189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).