N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide

C18H20ClNO3 — CID 17112665

IUPACN-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-22-10-11-23-16-8-5-14(6-9-16)18(21)20-17-12-15(19)7-4-13(17)2/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyNRJQEPDJEPEGNS-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.32
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide

N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide (PubChem CID 17112665) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
PubChem CID17112665
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-22-10-11-23-16-8-5-14(6-9-16)18(21)20-17-12-15(19)7-4-13(17)2/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyNRJQEPDJEPEGNS-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 22291090
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
2-(5-chloro-2-methylanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54819365

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide (CID 17112665) is N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide?
The InChIKey is NRJQEPDJEPEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-22-10-11-23-16-8-5-14(6-9-16)18(21)20-17-12-15(19)7-4-13(17)2/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide?
N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide has a molecular weight of 333.82 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17112665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).