2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide

C17H17Cl2FN2O2 — CID 9377633

IUPAC2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2FN2O2/c1-10(11-7-14(20)13(19)8-12(11)18)21-9-17(23)22-15-5-3-4-6-16(15)24-2/h3-8,10,21H,9H2,1-2H3,(H,22,23)/t10-/m1/s1
InChIKeyDDVHPMCDXLHKAN-SNVBAGLBSA-N
MW371.24 g/mol
LogP4.43
Rot. Bonds6

About 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide

2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 9377633) has the molecular formula C17H17Cl2FN2O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID9377633
Molecular FormulaC17H17Cl2FN2O2
Molecular Weight371.24 g/mol
Exact Mass370.07
IUPAC Name2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2FN2O2/c1-10(11-7-14(20)13(19)8-12(11)18)21-9-17(23)22-15-5-3-4-6-16(15)24-2/h3-8,10,21H,9H2,1-2H3,(H,22,23)/t10-/m1/s1
InChIKeyDDVHPMCDXLHKAN-SNVBAGLBSA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
N-(2-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377512
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
methyl 3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9377192
N-[2-(cyanomethylsulfanyl)phenyl]-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377300
N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307080
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 40941991
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide (CID 9377633) is 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is DDVHPMCDXLHKAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2/c1-10(11-7-14(20)13(19)8-12(11)18)21-9-17(23)22-15-5-3-4-6-16(15)24-2/h3-8,10,21H,9H2,1-2H3,(H,22,23)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 371.24 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9377633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).