4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide

C15H22ClFN2O2 — CID 120562459

IUPAC4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)CCC(C)N
InChIInChI=1S/C15H22ClFN2O2/c1-11(18)3-6-15(20)19(7-8-21-2)10-12-4-5-13(17)9-14(12)16/h4-5,9,11H,3,6-8,10,18H2,1-2H3
InChIKeyLJYCJNVJTKJKAH-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.58
Rot. Bonds8

About 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide

4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide (PubChem CID 120562459) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
PubChem CID120562459
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)CCC(C)N
InChIInChI=1S/C15H22ClFN2O2/c1-11(18)3-6-15(20)19(7-8-21-2)10-12-4-5-13(17)9-14(12)16/h4-5,9,11H,3,6-8,10,18H2,1-2H3
InChIKeyLJYCJNVJTKJKAH-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
CID 119320684
(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
CID 95615840
N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119778590
N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119778587
2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119778595
methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78949288
N-[(2-chloro-4-fluorophenyl)methyl]-4-cyano-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 71860276
4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119320659
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
The IUPAC name of 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide (CID 120562459) is 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide is COCCN(Cc1ccc(F)cc1Cl)C(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
The InChIKey is LJYCJNVJTKJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O2/c1-11(18)3-6-15(20)19(7-8-21-2)10-12-4-5-13(17)9-14(12)16/h4-5,9,11H,3,6-8,10,18H2,1-2H3.
What are the key properties of 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide has a molecular weight of 316.80 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 120562459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).