2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide

C10H10Cl2FNO — CID 154856898

IUPAC2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CCl)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c1-6(14-10(15)5-11)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyNBYHXZHPJRULHZ-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide

2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide (PubChem CID 154856898) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide
PubChem CID154856898
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CCl)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c1-6(14-10(15)5-11)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyNBYHXZHPJRULHZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(3-chloro-5-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 146098485
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
N-[1-(3,5-difluorophenyl)ethyl]pentanamide
CID 141128991
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
2-(3-chloro-5-fluorophenyl)-2-(propylamino)acetic acid
CID 114453626
3-acetamido-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 114453726
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide (CID 154856898) is 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide is CC(NC(=O)CCl)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
The InChIKey is NBYHXZHPJRULHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-6(14-10(15)5-11)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide?
2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide has a molecular weight of 250.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chloro-5-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 154856898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).