N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide

C10H14ClNO2 — CID 114295373

IUPACN-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)(C)CCl
InChIInChI=1S/C10H14ClNO2/c1-7-4-5-14-8(7)9(13)12-10(2,3)6-11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyKCXFKAANDWQETA-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.34
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide (PubChem CID 114295373) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide
PubChem CID114295373
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)(C)CCl
InChIInChI=1S/C10H14ClNO2/c1-7-4-5-14-8(7)9(13)12-10(2,3)6-11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyKCXFKAANDWQETA-UHFFFAOYSA-N
XLogP2.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 81485681
N-(3-carbamothioylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 61120193
N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide
CID 110834006
N-(tert-butylsulfamoyl)-3-methylfuran-2-carboxamide
CID 138018726
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride
CID 119597800
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
N-(2,2-difluoro-3-hydroxypropyl)-3-methylfuran-2-carboxamide
CID 104858004
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
CID 111335077
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide (CID 114295373) is N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(C)(C)CCl.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide?
The InChIKey is KCXFKAANDWQETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-4-5-14-8(7)9(13)12-10(2,3)6-11/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 114295373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).