(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide

C16H21ClFNO2 — CID 7751170

IUPAC(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H21ClFNO2/c1-11(21-13-7-8-15(18)14(17)9-13)16(20)19-10-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyGCUKKZXIDOVVMP-LLVKDONJSA-N
MW313.80 g/mol
LogP3.94
Rot. Bonds5

About (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide

(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide (PubChem CID 7751170) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
PubChem CID7751170
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H21ClFNO2/c1-11(21-13-7-8-15(18)14(17)9-13)16(20)19-10-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyGCUKKZXIDOVVMP-LLVKDONJSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 4883415
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide (CID 7751170) is (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide is C[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide?
The InChIKey is GCUKKZXIDOVVMP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-11(21-13-7-8-15(18)14(17)9-13)16(20)19-10-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide?
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide has a molecular weight of 313.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 7751170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).