3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide

C21H17Cl2NO2 — CID 50882569

IUPAC3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1Cl
InChIInChI=1S/C21H17Cl2NO2/c1-13-7-8-15(11-18(13)23)21(26)24-19-10-9-16(22)12-17(19)20(25)14-5-3-2-4-6-14/h2-12,20,25H,1H3,(H,24,26)
InChIKeyVZWMUVNUMNYVEL-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.64
Rot. Bonds4

About 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide

3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide (PubChem CID 50882569) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
PubChem CID50882569
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1Cl
InChIInChI=1S/C21H17Cl2NO2/c1-13-7-8-15(11-18(13)23)21(26)24-19-10-9-16(22)12-17(19)20(25)14-5-3-2-4-6-14/h2-12,20,25H,1H3,(H,24,26)
InChIKeyVZWMUVNUMNYVEL-UHFFFAOYSA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
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-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
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
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
CID 95733544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide (CID 50882569) is 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
The InChIKey is VZWMUVNUMNYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c1-13-7-8-15(11-18(13)23)21(26)24-19-10-9-16(22)12-17(19)20(25)14-5-3-2-4-6-14/h2-12,20,25H,1H3,(H,24,26).
What are the key properties of 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide has a molecular weight of 386.28 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 50882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).