N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide

C15H21Cl2NO — CID 63398181

IUPACN-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCCl)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21Cl2NO/c1-3-14(4-2)18(9-8-16)15(19)11-12-6-5-7-13(17)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyUWIRFVMSFRSCNU-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.14
Rot. Bonds7

About N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide

N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide (PubChem CID 63398181) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
PubChem CID63398181
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCCl)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21Cl2NO/c1-3-14(4-2)18(9-8-16)15(19)11-12-6-5-7-13(17)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyUWIRFVMSFRSCNU-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
CID 107491039
2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide
CID 13268024
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705652
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 100566840
(2S)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543072
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705654
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575415
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
(2S)-2-[[2-(3-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603856
2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132655993

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide (CID 63398181) is N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCCl)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide?
The InChIKey is UWIRFVMSFRSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-14(4-2)18(9-8-16)15(19)11-12-6-5-7-13(17)10-12/h5-7,10,14H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide?
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide has a molecular weight of 302.24 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 63398181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).