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

C22H20ClNO2 — CID 50882522

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1C
InChIInChI=1S/C22H20ClNO2/c1-14-8-9-17(12-15(14)2)22(26)24-20-11-10-18(23)13-19(20)21(25)16-6-4-3-5-7-16/h3-13,21,25H,1-2H3,(H,24,26)
InChIKeyVNXAWVCPNIOEPF-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.29
Rot. Bonds4

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

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide (PubChem CID 50882522) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
PubChem CID50882522
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1C
InChIInChI=1S/C22H20ClNO2/c1-14-8-9-17(12-15(14)2)22(26)24-20-11-10-18(23)13-19(20)21(25)16-6-4-3-5-7-16/h3-13,21,25H,1-2H3,(H,24,26)
InChIKeyVNXAWVCPNIOEPF-UHFFFAOYSA-N
XLogP5.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
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
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
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-[(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-[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 N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide (CID 50882522) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1C.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide?
The InChIKey is VNXAWVCPNIOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-14-8-9-17(12-15(14)2)22(26)24-20-11-10-18(23)13-19(20)21(25)16-6-4-3-5-7-16/h3-13,21,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 365.86 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 50882522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).