(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide

C12H13ClFNO2 — CID 7751160

IUPAC(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
SMILESC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C12H13ClFNO2/c1-7(12(16)15-8-2-3-8)17-9-4-5-11(14)10(13)6-9/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyDFSBZVDMUDZSGE-SSDOTTSWSA-N
MW257.69 g/mol
LogP2.53
Rot. Bonds4

About (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide

(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide (PubChem CID 7751160) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
PubChem CID7751160
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
SMILESC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C12H13ClFNO2/c1-7(12(16)15-8-2-3-8)17-9-4-5-11(14)10(13)6-9/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyDFSBZVDMUDZSGE-SSDOTTSWSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
4-[2-(3,4-difluorophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229245
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide (CID 7751160) is (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide is C[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide?
The InChIKey is DFSBZVDMUDZSGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-7(12(16)15-8-2-3-8)17-9-4-5-11(14)10(13)6-9/h4-8H,2-3H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide?
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide has a molecular weight of 257.69 g/mol, XLogP of 2.53, 4 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-cyclopropylpropanamide is sourced from PubChem (CID 7751160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).