cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide

C15H17Cl2FN2O2 — CID 164640210

IUPACcis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide
SMILESCC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C15H17Cl2FN2O2/c1-7(11-5-10(16)6-12(17)13(11)18)20-15(22)9-3-2-8(4-9)14(19)21/h5-9H,2-4H2,1H3,(H2,19,21)(H,20,22)/t7?,8-,9+/m1/s1
InChIKeyMJMNZOWYEYTKGF-ASODMVGOSA-N
MW347.22 g/mol
LogP3.21
Rot. Bonds4

About cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide

cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide (PubChem CID 164640210) has the molecular formula C15H17Cl2FN2O2 and a molecular weight of 347.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide
PubChem CID164640210
Molecular FormulaC15H17Cl2FN2O2
Molecular Weight347.22 g/mol
Exact Mass346.07
IUPAC Namecis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide
SMILESCC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C15H17Cl2FN2O2/c1-7(11-5-10(16)6-12(17)13(11)18)20-15(22)9-3-2-8(4-9)14(19)21/h5-9H,2-4H2,1H3,(H2,19,21)(H,20,22)/t7?,8-,9+/m1/s1
InChIKeyMJMNZOWYEYTKGF-ASODMVGOSA-N
XLogP3.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide 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

(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67458905
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67463246
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 71463299
N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
CID 169452749
3-[(5-chloro-2-fluorophenyl)methylamino]-N-propan-2-ylbutanamide
CID 84590072
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-N',N'-dimethylpentanediamide
CID 71866951
N-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-N',N'-dimethylpentanediamide
CID 96521616
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dichlorophenyl)-2-(diethylamino)acetamide
CID 97099429
1-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 97333679
5-[1-(3-Chloro-2-fluorophenyl)propylamino]-1-methylpiperidin-2-one
CID 121515214
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 132284461
2-[(1R,3S)-3-aminocyclopentyl]-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 137991395

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide?
The IUPAC name of cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide (CID 164640210) is cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide?
The canonical SMILES for cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide is CC(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide?
The InChIKey is MJMNZOWYEYTKGF-ASODMVGOSA-N. The full InChI is InChI=1S/C15H17Cl2FN2O2/c1-7(11-5-10(16)6-12(17)13(11)18)20-15(22)9-3-2-8(4-9)14(19)21/h5-9H,2-4H2,1H3,(H2,19,21)(H,20,22)/t7?,8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide?
cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-N-[1-(3,5-dichloro-2-fluorophenyl)ethyl]cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 164640210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).