N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide

C17H18ClNO2 — CID 87973997

IUPACN-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide
SMILESCOCCN(C=O)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-11-10-19(13-20)12-14-2-4-15(5-3-14)16-6-8-17(18)9-7-16/h2-9,13H,10-12H2,1H3
InChIKeySSYUPHOXRATIDT-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.61
Rot. Bonds7

About N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide

N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide (PubChem CID 87973997) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide
PubChem CID87973997
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide
SMILESCOCCN(C=O)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-11-10-19(13-20)12-14-2-4-15(5-3-14)16-6-8-17(18)9-7-16/h2-9,13H,10-12H2,1H3
InChIKeySSYUPHOXRATIDT-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide?
The IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide (CID 87973997) is N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide is COCCN(C=O)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide?
The InChIKey is SSYUPHOXRATIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-11-10-19(13-20)12-14-2-4-15(5-3-14)16-6-8-17(18)9-7-16/h2-9,13H,10-12H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide?
N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide has a molecular weight of 303.79 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(2-methoxyethyl)formamide is sourced from PubChem (CID 87973997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).