3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C12H16ClNO2 — CID 60949956

IUPAC3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)CCCl)C2CC2)o1
InChIInChI=1S/C12H16ClNO2/c1-9-2-5-11(16-9)8-14(10-3-4-10)12(15)6-7-13/h2,5,10H,3-4,6-8H2,1H3
InChIKeyCMYKCNAGYVMQIZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.71
Rot. Bonds5

About 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 60949956) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID60949956
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)CCCl)C2CC2)o1
InChIInChI=1S/C12H16ClNO2/c1-9-2-5-11(16-9)8-14(10-3-4-10)12(15)6-7-13/h2,5,10H,3-4,6-8H2,1H3
InChIKeyCMYKCNAGYVMQIZ-UHFFFAOYSA-N
XLogP2.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 54871939
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627014
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 102655903
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93378560

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 60949956) is 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C(=O)CCCl)C2CC2)o1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is CMYKCNAGYVMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9-2-5-11(16-9)8-14(10-3-4-10)12(15)6-7-13/h2,5,10H,3-4,6-8H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 60949956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).