5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide

C12H11ClN2O2 — CID 82344269

IUPAC5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(N)o1
InChIInChI=1S/C12H11ClN2O2/c1-7-8(13)3-2-4-9(7)15-12(16)10-5-6-11(14)17-10/h2-6H,14H2,1H3,(H,15,16)
InChIKeyMOVGFCGPYVUKLE-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.08
Rot. Bonds2

About 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide

5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide (PubChem CID 82344269) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
PubChem CID82344269
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(N)o1
InChIInChI=1S/C12H11ClN2O2/c1-7-8(13)3-2-4-9(7)15-12(16)10-5-6-11(14)17-10/h2-6H,14H2,1H3,(H,15,16)
InChIKeyMOVGFCGPYVUKLE-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

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Related Compounds

5-amino-N-(2-chlorophenyl)furan-2-carboxamide
CID 82344260
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 82344285
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786922
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide (CID 82344269) is 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(N)o1.
What is the InChIKey of 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is MOVGFCGPYVUKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-8(13)3-2-4-9(7)15-12(16)10-5-6-11(14)17-10/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
5-amino-N-(3-chloro-2-methylphenyl)furan-2-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 5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 82344269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).