cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide

C17H21Cl2F2NO2 — CID 100971641

IUPACcis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCC[C@@]1(C(=O)N[C@H](C)COCc2cccc(F)c2F)[C@H](C)C1(Cl)Cl
InChIInChI=1S/C17H21Cl2F2NO2/c1-4-16(11(3)17(16,18)19)15(23)22-10(2)8-24-9-12-6-5-7-13(20)14(12)21/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,23)/t10-,11+,16+/m1/s1
InChIKeyTUUIZIIWMMYFQP-GDLVEWKHSA-N
MW380.26 g/mol
LogP4.21
Rot. Bonds7

About cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide

cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide (PubChem CID 100971641) has the molecular formula C17H21Cl2F2NO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide
PubChem CID100971641
Molecular FormulaC17H21Cl2F2NO2
Molecular Weight380.26 g/mol
Exact Mass379.09
IUPAC Namecis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCC[C@@]1(C(=O)N[C@H](C)COCc2cccc(F)c2F)[C@H](C)C1(Cl)Cl
InChIInChI=1S/C17H21Cl2F2NO2/c1-4-16(11(3)17(16,18)19)15(23)22-10(2)8-24-9-12-6-5-7-13(20)14(12)21/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,23)/t10-,11+,16+/m1/s1
InChIKeyTUUIZIIWMMYFQP-GDLVEWKHSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide (CID 100971641) is cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide is CC[C@@]1(C(=O)N[C@H](C)COCc2cccc(F)c2F)[C@H](C)C1(Cl)Cl.
What is the InChIKey of cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide?
The InChIKey is TUUIZIIWMMYFQP-GDLVEWKHSA-N. The full InChI is InChI=1S/C17H21Cl2F2NO2/c1-4-16(11(3)17(16,18)19)15(23)22-10(2)8-24-9-12-6-5-7-13(20)14(12)21/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,23)/t10-,11+,16+/m1/s1.
What are the key properties of cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide?
cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide has a molecular weight of 380.26 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-2,2-dichloro-N-[(2R)-1-[(2,3-difluorophenyl)methoxy]propan-2-yl]-1-ethyl-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 100971641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).