N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide

C10H14ClNO2 — CID 114823198

IUPACN-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CCl)co1
InChIInChI=1S/C10H14ClNO2/c1-7-4-8(5-14-7)9(13)12-10(2,3)6-11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyQZQOTAOCTGTHNZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.34
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide (PubChem CID 114823198) 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)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
PubChem CID114823198
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CCl)co1
InChIInChI=1S/C10H14ClNO2/c1-7-4-8(5-14-7)9(13)12-10(2,3)6-11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyQZQOTAOCTGTHNZ-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-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
4-bromo-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295185
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 114295373
N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233315
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
CID 114820786
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide (CID 114823198) is N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)(C)CCl)co1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide?
The InChIKey is QZQOTAOCTGTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-4-8(5-14-7)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)-5-methylfuran-3-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-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)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114823198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).