N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide

C21H18ClNO2 — CID 100657509

IUPACN-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C21H18ClNO2/c1-14-8-9-15(2)18(12-14)21(24)23-19-13-16(22)10-11-20(19)25-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24)
InChIKeyINTOZJQSUCTXCU-UHFFFAOYSA-N
MW351.83 g/mol
LogP6.00
Rot. Bonds4

About N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide

N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide (PubChem CID 100657509) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
PubChem CID100657509
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C21H18ClNO2/c1-14-8-9-15(2)18(12-14)21(24)23-19-13-16(22)10-11-20(19)25-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24)
InChIKeyINTOZJQSUCTXCU-UHFFFAOYSA-N
XLogP6.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2,5-dimethylbenzamide
CID 55729425
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
CID 18072338
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
CID 60567457
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide (CID 100657509) is N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide?
The InChIKey is INTOZJQSUCTXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-14-8-9-15(2)18(12-14)21(24)23-19-13-16(22)10-11-20(19)25-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide?
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide has a molecular weight of 351.83 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 100657509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).