N-(5-chloro-2-propoxyphenyl)-N-methylformamide

C11H14ClNO2 — CID 146641410

IUPACN-(5-chloro-2-propoxyphenyl)-N-methylformamide
SMILESCCCOc1ccc(Cl)cc1N(C)C=O
InChIInChI=1S/C11H14ClNO2/c1-3-6-15-11-5-4-9(12)7-10(11)13(2)8-14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCXUKKHSXHOSACP-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.72
Rot. Bonds5

About N-(5-chloro-2-propoxyphenyl)-N-methylformamide

N-(5-chloro-2-propoxyphenyl)-N-methylformamide (PubChem CID 146641410) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-N-methylformamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-N-methylformamide
PubChem CID146641410
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(5-chloro-2-propoxyphenyl)-N-methylformamide
SMILESCCCOc1ccc(Cl)cc1N(C)C=O
InChIInChI=1S/C11H14ClNO2/c1-3-6-15-11-5-4-9(12)7-10(11)13(2)8-14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCXUKKHSXHOSACP-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.72
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-(5-chloro-2-propoxyphenyl)-N-methylformamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-N-methylformamide (CID 146641410) is N-(5-chloro-2-propoxyphenyl)-N-methylformamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-N-methylformamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-N-methylformamide is CCCOc1ccc(Cl)cc1N(C)C=O.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-N-methylformamide?
The InChIKey is CXUKKHSXHOSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-6-15-11-5-4-9(12)7-10(11)13(2)8-14/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of N-(5-chloro-2-propoxyphenyl)-N-methylformamide?
N-(5-chloro-2-propoxyphenyl)-N-methylformamide has a molecular weight of 227.69 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-N-methylformamide is sourced from PubChem (CID 146641410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).