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

C22H20ClNO3 — CID 95733551

IUPACN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-2-27-18-11-8-16(9-12-18)22(26)24-20-13-10-17(23)14-19(20)21(25)15-6-4-3-5-7-15/h3-14,21,25H,2H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyPQDRFFJAKSRDAF-NRFANRHFSA-N
MW381.86 g/mol
LogP5.07
Rot. Bonds6

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

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide (PubChem CID 95733551) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
PubChem CID95733551
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-2-27-18-11-8-16(9-12-18)22(26)24-20-13-10-17(23)14-19(20)21(25)15-6-4-3-5-7-15/h3-14,21,25H,2H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyPQDRFFJAKSRDAF-NRFANRHFSA-N
XLogP5.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
3-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
CID 95733544
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-phenylphenoxy)acetamide
CID 95733672
N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
CID 7337863

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide (CID 95733551) is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide?
The InChIKey is PQDRFFJAKSRDAF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-2-27-18-11-8-16(9-12-18)22(26)24-20-13-10-17(23)14-19(20)21(25)15-6-4-3-5-7-15/h3-14,21,25H,2H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide?
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide has a molecular weight of 381.86 g/mol, XLogP of 5.07, 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]-4-ethoxybenzamide is sourced from PubChem (CID 95733551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).