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

C19H22ClNO2 — CID 7935749

IUPAC(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
SMILESCC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-13(2)15-5-9-17(10-6-15)21-19(22)14(3)23-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyDAAGNZCYECYEEQ-KBPBESRZSA-N
MW331.84 g/mol
LogP5.26
Rot. Bonds6

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

(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide (PubChem CID 7935749) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
PubChem CID7935749
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
SMILESCC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-13(2)15-5-9-17(10-6-15)21-19(22)14(3)23-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyDAAGNZCYECYEEQ-KBPBESRZSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide (CID 7935749) is (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide is CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide?
The InChIKey is DAAGNZCYECYEEQ-KBPBESRZSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-13(2)15-5-9-17(10-6-15)21-19(22)14(3)23-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide?
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 7935749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).