(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide

C16H17Cl2N3O2 — CID 94613242

IUPAC(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2cccc(OCCn3ccnc3)c2)CC1(Cl)Cl
InChIInChI=1S/C16H17Cl2N3O2/c1-15(10-16(15,17)18)14(22)20-12-3-2-4-13(9-12)23-8-7-21-6-5-19-11-21/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyHEPAROBEHGPHMN-OAHLLOKOSA-N
MW354.24 g/mol
LogP3.48
Rot. Bonds6

About (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 94613242) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID94613242
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2cccc(OCCn3ccnc3)c2)CC1(Cl)Cl
InChIInChI=1S/C16H17Cl2N3O2/c1-15(10-16(15,17)18)14(22)20-12-3-2-4-13(9-12)23-8-7-21-6-5-19-11-21/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyHEPAROBEHGPHMN-OAHLLOKOSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methoxybenzamide
CID 47045466
methyl 2-[2-[[3-(2-imidazol-1-ylethoxy)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 167881794
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
CID 166200337
N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
CID 47045489
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-methyl-3-nitrobenzamide
CID 47045463
4-tert-butyl-N-[3-[3-(2-imidazol-1-ylethoxy)anilino]-3-oxopropyl]benzamide
CID 166187077
2,2-dichloro-1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide
CID 47045605
2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine
CID 19811578
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide (CID 94613242) is (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide is C[C@]1(C(=O)Nc2cccc(OCCn3ccnc3)c2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is HEPAROBEHGPHMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-15(10-16(15,17)18)14(22)20-12-3-2-4-13(9-12)23-8-7-21-6-5-19-11-21/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94613242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).