N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide

C14H17Cl2NO — CID 114757833

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1(CCCl)CC1
InChIInChI=1S/C14H17Cl2NO/c15-8-7-14(5-6-14)10-17-13(18)9-11-3-1-2-4-12(11)16/h1-4H,5-10H2,(H,17,18)
InChIKeyKQPIKSUDFLKCQV-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.41
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide (PubChem CID 114757833) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
PubChem CID114757833
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1(CCCl)CC1
InChIInChI=1S/C14H17Cl2NO/c15-8-7-14(5-6-14)10-17-13(18)9-11-3-1-2-4-12(11)16/h1-4H,5-10H2,(H,17,18)
InChIKeyKQPIKSUDFLKCQV-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.41
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

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
1-[[[2-(2-chlorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362454
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80711817
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide (CID 114757833) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is KQPIKSUDFLKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-8-7-14(5-6-14)10-17-13(18)9-11-3-1-2-4-12(11)16/h1-4H,5-10H2,(H,17,18).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 286.20 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 114757833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).