(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone

C11H11Cl2NO2 — CID 116924357

IUPAC(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N)CC2)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-7-3-2-6(8(12)9(7)13)10(15)11(14)4-5-11/h2-3H,4-5,14H2,1H3
InChIKeyHXWNTQWVZVUCIE-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.68
Rot. Bonds3

About (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone

(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone (PubChem CID 116924357) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
PubChem CID116924357
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(N)CC2)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-7-3-2-6(8(12)9(7)13)10(15)11(14)4-5-11/h2-3H,4-5,14H2,1H3
InChIKeyHXWNTQWVZVUCIE-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
CID 116924286
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone (CID 116924357) is (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(N)CC2)c(Cl)c1Cl.
What is the InChIKey of (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone?
The InChIKey is HXWNTQWVZVUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-16-7-3-2-6(8(12)9(7)13)10(15)11(14)4-5-11/h2-3H,4-5,14H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone?
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone has a molecular weight of 260.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 116924357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).