N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide

C12H14ClNO — CID 146152353

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide
SMILESCC(=O)N(C)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO/c1-9(15)14(2)12(6-7-12)10-4-3-5-11(13)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeyJPDHVUDWKSBLFC-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.81
Rot. Bonds2

About N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide

N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide (PubChem CID 146152353) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide
PubChem CID146152353
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide
SMILESCC(=O)N(C)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO/c1-9(15)14(2)12(6-7-12)10-4-3-5-11(13)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeyJPDHVUDWKSBLFC-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
CID 75443074
1-(3-chlorophenyl)-2-methylcyclobutane-1-carboxylic acid
CID 66432381
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
N-methyl-N-(4-phenylpiperidin-4-yl)acetamide;phenylmethanesulfonic acid
CID 159100638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide (CID 146152353) is N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide is CC(=O)N(C)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide?
The InChIKey is JPDHVUDWKSBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9(15)14(2)12(6-7-12)10-4-3-5-11(13)8-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide?
N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide has a molecular weight of 223.70 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide is sourced from PubChem (CID 146152353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).