N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide

C12H11ClN2O2 — CID 114818567

IUPACN-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)cc2Cl)co1
InChIInChI=1S/C12H11ClN2O2/c1-7-4-8(6-17-7)12(16)15-11-3-2-9(14)5-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyWEEXCUJJIGWPHA-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.08
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide

N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide (PubChem CID 114818567) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
PubChem CID114818567
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)cc2Cl)co1
InChIInChI=1S/C12H11ClN2O2/c1-7-4-8(6-17-7)12(16)15-11-3-2-9(14)5-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyWEEXCUJJIGWPHA-UHFFFAOYSA-N
XLogP3.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide (CID 114818567) is N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N)cc2Cl)co1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide?
The InChIKey is WEEXCUJJIGWPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-4-8(6-17-7)12(16)15-11-3-2-9(14)5-10(11)13/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide?
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114818567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).