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

C17H18ClNO3 — CID 2711643

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(22-16-9-5-14(18)6-10-16)17(20)19-11-13-3-7-15(21-2)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyDZGHIDLNAONEBF-LBPRGKRZSA-N
MW319.79 g/mol
LogP3.43
Rot. Bonds6

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

(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 2711643) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID2711643
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(22-16-9-5-14(18)6-10-16)17(20)19-11-13-3-7-15(21-2)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyDZGHIDLNAONEBF-LBPRGKRZSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
(2S)-2-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100645893
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750595
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7867947
2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385458

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide (CID 2711643) is (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is DZGHIDLNAONEBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12(22-16-9-5-14(18)6-10-16)17(20)19-11-13-3-7-15(21-2)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2711643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).