N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide

C14H16Cl2FNO — CID 114758055

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1(CCCl)CC1
InChIInChI=1S/C14H16Cl2FNO/c15-7-6-14(4-5-14)9-18-13(19)8-10-11(16)2-1-3-12(10)17/h1-3H,4-9H2,(H,18,19)
InChIKeyRLRBDWWNEBQDLS-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.55
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 114758055) has the molecular formula C14H16Cl2FNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID114758055
Molecular FormulaC14H16Cl2FNO
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1(CCCl)CC1
InChIInChI=1S/C14H16Cl2FNO/c15-7-6-14(4-5-14)9-18-13(19)8-10-11(16)2-1-3-12(10)17/h1-3H,4-9H2,(H,18,19)
InChIKeyRLRBDWWNEBQDLS-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.55
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-(2,6-difluorophenyl)acetamide
CID 114758143
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80711817
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 18139443
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
CID 91817773
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 63887000
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
CID 72719733

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 114758055) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is RLRBDWWNEBQDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO/c15-7-6-14(4-5-14)9-18-13(19)8-10-11(16)2-1-3-12(10)17/h1-3H,4-9H2,(H,18,19).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 304.19 g/mol, XLogP of 3.55, 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-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 114758055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).