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

C15H22ClFN2O2 — CID 119320684

IUPAC2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCOC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H22ClFN2O2/c1-3-4-14(18)15(20)19(7-8-21-2)10-11-5-6-12(17)9-13(11)16/h5-6,9,14H,3-4,7-8,10,18H2,1-2H3
InChIKeyHTUWJUHFJWHMAM-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.58
Rot. Bonds8

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

2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide (PubChem CID 119320684) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
PubChem CID119320684
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCOC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H22ClFN2O2/c1-3-4-14(18)15(20)19(7-8-21-2)10-11-5-6-12(17)9-13(11)16/h5-6,9,14H,3-4,7-8,10,18H2,1-2H3
InChIKeyHTUWJUHFJWHMAM-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

4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
CID 120562459
(2R)-2-(carbamoylamino)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propanamide
CID 95615840
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2-(aminomethyl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119778595
N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119778590
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
CID 120993056
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993055
methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78949288
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
N-[(2-chloro-4-fluorophenyl)methyl]-4-cyano-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 71860276
N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119778587

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
The IUPAC name of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide (CID 119320684) is 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide is CCCC(N)C(=O)N(CCOC)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
The InChIKey is HTUWJUHFJWHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O2/c1-3-4-14(18)15(20)19(7-8-21-2)10-11-5-6-12(17)9-13(11)16/h5-6,9,14H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide?
2-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 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 119320684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).