3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide

C11H16ClNO2 — CID 62729105

IUPAC3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
SMILESCc1occc1CN(C)C(=O)C(C)CCl
InChIInChI=1S/C11H16ClNO2/c1-8(6-12)11(14)13(3)7-10-4-5-15-9(10)2/h4-5,8H,6-7H2,1-3H3
InChIKeyIITITXIWZYHTKW-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.42
Rot. Bonds4

About 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide

3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide (PubChem CID 62729105) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
PubChem CID62729105
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide
SMILESCc1occc1CN(C)C(=O)C(C)CCl
InChIInChI=1S/C11H16ClNO2/c1-8(6-12)11(14)13(3)7-10-4-5-15-9(10)2/h4-5,8H,6-7H2,1-3H3
InChIKeyIITITXIWZYHTKW-UHFFFAOYSA-N
XLogP2.42
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.42
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

2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107024425
2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 62477479
(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 166302742
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877910
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115591598
3-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61423971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide (CID 62729105) is 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide is Cc1occc1CN(C)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The InChIKey is IITITXIWZYHTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(6-12)11(14)13(3)7-10-4-5-15-9(10)2/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide has a molecular weight of 229.71 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]propanamide is sourced from PubChem (CID 62729105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).