N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide

C18H17Cl2FN2O2 — CID 9377442

IUPACN-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2FN2O2/c1-10(14-7-17(21)16(20)8-15(14)19)22-9-18(25)23-13-5-3-4-12(6-13)11(2)24/h3-8,10,22H,9H2,1-2H3,(H,23,25)/t10-/m0/s1
InChIKeyXVWMKTXGOCIADR-JTQLQIEISA-N
MW383.25 g/mol
LogP4.62
Rot. Bonds6

About N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide

N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide (PubChem CID 9377442) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
PubChem CID9377442
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC NameN-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2FN2O2/c1-10(14-7-17(21)16(20)8-15(14)19)22-9-18(25)23-13-5-3-4-12(6-13)11(2)24/h3-8,10,22H,9H2,1-2H3,(H,23,25)/t10-/m0/s1
InChIKeyXVWMKTXGOCIADR-JTQLQIEISA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.62
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

3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-N-methylbenzamide
CID 8639816
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377550
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8639730
N-(4-cyanophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377756
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
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide (CID 9377442) is N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide is CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is XVWMKTXGOCIADR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-10(14-7-17(21)16(20)8-15(14)19)22-9-18(25)23-13-5-3-4-12(6-13)11(2)24/h3-8,10,22H,9H2,1-2H3,(H,23,25)/t10-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide?
N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 383.25 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9377442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).