2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide

C16H21Cl2NO3 — CID 78864734

IUPAC2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC2(Cl)Cl)ccc1OC(C)C
InChIInChI=1S/C16H21Cl2NO3/c1-9(2)22-13-6-5-11(7-14(13)21-4)10(3)19-15(20)12-8-16(12,17)18/h5-7,9-10,12H,8H2,1-4H3,(H,19,20)
InChIKeySUYDGXUCYHHOJQ-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.85
Rot. Bonds6

About 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 78864734) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID78864734
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC2(Cl)Cl)ccc1OC(C)C
InChIInChI=1S/C16H21Cl2NO3/c1-9(2)22-13-6-5-11(7-14(13)21-4)10(3)19-15(20)12-8-16(12,17)18/h5-7,9-10,12H,8H2,1-4H3,(H,19,20)
InChIKeySUYDGXUCYHHOJQ-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 51119931
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]morpholine-3-carboxamide
CID 119721184
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119721211
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153648

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 78864734) is 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1cc(C(C)NC(=O)C2CC2(Cl)Cl)ccc1OC(C)C.
What is the InChIKey of 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SUYDGXUCYHHOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-9(2)22-13-6-5-11(7-14(13)21-4)10(3)19-15(20)12-8-16(12,17)18/h5-7,9-10,12H,8H2,1-4H3,(H,19,20).
What are the key properties of 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 346.25 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78864734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).