3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide

C10H18ClNO — CID 20614523

IUPAC3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)NC(=O)C1(C)CC(C)(Cl)C1
InChIInChI=1S/C10H18ClNO/c1-7(2)12-8(13)9(3)5-10(4,11)6-9/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeySHDXYWZUVGWQAW-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.31
Rot. Bonds2

About 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide

3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 20614523) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
PubChem CID20614523
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)NC(=O)C1(C)CC(C)(Cl)C1
InChIInChI=1S/C10H18ClNO/c1-7(2)12-8(13)9(3)5-10(4,11)6-9/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeySHDXYWZUVGWQAW-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide (CID 20614523) is 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide is CC(C)NC(=O)C1(C)CC(C)(Cl)C1.
What is the InChIKey of 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is SHDXYWZUVGWQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-7(2)12-8(13)9(3)5-10(4,11)6-9/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide?
3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 203.71 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 20614523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).