N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C12H20ClNO — CID 104555749

IUPACN-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(CCl)N(C)C(=O)C1CC2CCC1C2
InChIInChI=1S/C12H20ClNO/c1-8(7-13)14(2)12(15)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3
InChIKeyAXUNNLYHDMMZPO-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.51
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 104555749) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID104555749
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(CCl)N(C)C(=O)C1CC2CCC1C2
InChIInChI=1S/C12H20ClNO/c1-8(7-13)14(2)12(15)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3
InChIKeyAXUNNLYHDMMZPO-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107184308
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(5-chloropentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107205733
N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 54996543
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
CID 54896586
methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
CID 43409497
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-(1-chloropropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104555649

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 104555749) is N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CC(CCl)N(C)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AXUNNLYHDMMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-8(7-13)14(2)12(15)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 104555749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).