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

C14H20ClNO2 — CID 63665475

IUPAC3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)C(C)(C)CCl)C2CC2)o1
InChIInChI=1S/C14H20ClNO2/c1-10-4-7-12(18-10)8-16(11-5-6-11)13(17)14(2,3)9-15/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeyMIUIMUJPFOOLRF-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.34
Rot. Bonds5

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

3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 63665475) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID63665475
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)C(C)(C)CCl)C2CC2)o1
InChIInChI=1S/C14H20ClNO2/c1-10-4-7-12(18-10)8-16(11-5-6-11)13(17)14(2,3)9-15/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeyMIUIMUJPFOOLRF-UHFFFAOYSA-N
XLogP3.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.34
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-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 103929276
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93378560
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 3281618
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
6-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]pyrazine-2-carboxamide
CID 106551139
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 63665475) is 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C(=O)C(C)(C)CCl)C2CC2)o1.
What is the InChIKey of 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is MIUIMUJPFOOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-4-7-12(18-10)8-16(11-5-6-11)13(17)14(2,3)9-15/h4,7,11H,5-6,8-9H2,1-3H3.
What are the key properties of 3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 269.77 g/mol, XLogP of 3.34, 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-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 63665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).