(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

C19H22ClNO3 — CID 8757745

IUPAC(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)12-23-16-10-8-15(9-11-16)21-19(22)14(3)24-18-7-5-4-6-17(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyXEYRWQRQXRRJAS-AWEZNQCLSA-N
MW347.84 g/mol
LogP4.78
Rot. Bonds7

About (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 8757745) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
PubChem CID8757745
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)12-23-16-10-8-15(9-11-16)21-19(22)14(3)24-18-7-5-4-6-17(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyXEYRWQRQXRRJAS-AWEZNQCLSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
CID 43887800
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 43888101
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (CID 8757745) is (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is XEYRWQRQXRRJAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(2)12-23-16-10-8-15(9-11-16)21-19(22)14(3)24-18-7-5-4-6-17(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 8757745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).