(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide

C9H12ClNO2 — CID 42554709

IUPAC(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESC[C@@H](Cl)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C9H12ClNO2/c1-7(10)9(12)11(2)6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyAVKITXNDWQKXND-SSDOTTSWSA-N
MW201.65 g/mol
LogP1.87
Rot. Bonds3

About (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide

(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide (PubChem CID 42554709) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
PubChem CID42554709
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
SMILESC[C@@H](Cl)C(=O)N(C)Cc1ccco1
InChIInChI=1S/C9H12ClNO2/c1-7(10)9(12)11(2)6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyAVKITXNDWQKXND-SSDOTTSWSA-N
XLogP1.87
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.87
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-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 71757104
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 61154534
2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61198284
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide (CID 42554709) is (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide is C[C@@H](Cl)C(=O)N(C)Cc1ccco1.
What is the InChIKey of (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide?
The InChIKey is AVKITXNDWQKXND-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-7(10)9(12)11(2)6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide?
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide has a molecular weight of 201.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 42554709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).