4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide

C22H21ClN2O4 — CID 173185898

IUPAC4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide
SMILESCOCCOCOc1cnc(-c2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C22H21ClN2O4/c1-27-11-12-28-15-29-19-13-20(23)21(24-14-19)16-7-9-17(10-8-16)22(26)25-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeyBEFKZUWACAXNGC-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.65
Rot. Bonds9

About 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide

4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide (PubChem CID 173185898) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide
PubChem CID173185898
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide
SMILESCOCCOCOc1cnc(-c2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C22H21ClN2O4/c1-27-11-12-28-15-29-19-13-20(23)21(24-14-19)16-7-9-17(10-8-16)22(26)25-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeyBEFKZUWACAXNGC-UHFFFAOYSA-N
XLogP4.65
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide?
The IUPAC name of 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide (CID 173185898) is 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide?
The canonical SMILES for 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide is COCCOCOc1cnc(-c2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide?
The InChIKey is BEFKZUWACAXNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-27-11-12-28-15-29-19-13-20(23)21(24-14-19)16-7-9-17(10-8-16)22(26)25-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26).
What are the key properties of 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide?
4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide has a molecular weight of 412.87 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide is sourced from PubChem (CID 173185898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).