N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

C23H21Cl2NO3 — CID 95733665

IUPACN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
InChIInChI=1S/C23H21Cl2NO3/c1-23(2,29-18-11-8-16(24)9-12-18)22(28)26-20-13-10-17(25)14-19(20)21(27)15-6-4-3-5-7-15/h3-14,21,27H,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyPNSFBUWPTJFYNB-NRFANRHFSA-N
MW430.33 g/mol
LogP5.87
Rot. Bonds6

About N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 95733665) has the molecular formula C23H21Cl2NO3 and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID95733665
Molecular FormulaC23H21Cl2NO3
Molecular Weight430.33 g/mol
Exact Mass429.09
IUPAC NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
InChIInChI=1S/C23H21Cl2NO3/c1-23(2,29-18-11-8-16(24)9-12-18)22(28)26-20-13-10-17(25)14-19(20)21(27)15-6-4-3-5-7-15/h3-14,21,27H,1-2H3,(H,26,28)/t21-/m0/s1
InChIKeyPNSFBUWPTJFYNB-NRFANRHFSA-N
XLogP5.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.33
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733664
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 95733658
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 95733665) is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is PNSFBUWPTJFYNB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21Cl2NO3/c1-23(2,29-18-11-8-16(24)9-12-18)22(28)26-20-13-10-17(25)14-19(20)21(27)15-6-4-3-5-7-15/h3-14,21,27H,1-2H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 430.33 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 95733665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).