N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide

C16H22ClFN2O2 — CID 119778590

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)CNCC1CC1
InChIInChI=1S/C16H22ClFN2O2/c1-22-7-6-20(16(21)10-19-9-12-2-3-12)11-13-4-5-14(18)8-15(13)17/h4-5,8,12,19H,2-3,6-7,9-11H2,1H3
InChIKeyXPTYHPGSNIETIH-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.45
Rot. Bonds9

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide (PubChem CID 119778590) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
PubChem CID119778590
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)CNCC1CC1
InChIInChI=1S/C16H22ClFN2O2/c1-22-7-6-20(16(21)10-19-9-12-2-3-12)11-13-4-5-14(18)8-15(13)17/h4-5,8,12,19H,2-3,6-7,9-11H2,1H3
InChIKeyXPTYHPGSNIETIH-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide (CID 119778590) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccc(F)cc1Cl)C(=O)CNCC1CC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide?
The InChIKey is XPTYHPGSNIETIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-22-7-6-20(16(21)10-19-9-12-2-3-12)11-13-4-5-14(18)8-15(13)17/h4-5,8,12,19H,2-3,6-7,9-11H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide has a molecular weight of 328.81 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 119778590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).