N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C16H17ClN2O3 — CID 44782479

IUPACN-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-10(2)14(19-15(20)13-8-5-9-22-13)16(21)18-12-7-4-3-6-11(12)17/h3-10,14H,1-2H3,(H,18,21)(H,19,20)
InChIKeyATSIYENSIDSZRX-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 44782479) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID44782479
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-10(2)14(19-15(20)13-8-5-9-22-13)16(21)18-12-7-4-3-6-11(12)17/h3-10,14H,1-2H3,(H,18,21)(H,19,20)
InChIKeyATSIYENSIDSZRX-UHFFFAOYSA-N
XLogP3.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
N-[(2S)-1-[4-(2-chlorophenoxy)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24533663
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[(2S)-1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138220
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 112760791
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43011577
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2R)-3-methyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 30866106
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
N-[(2S)-1-(2-acetyl-5-fluoroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 124617658

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 44782479) is N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is ATSIYENSIDSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10(2)14(19-15(20)13-8-5-9-22-13)16(21)18-12-7-4-3-6-11(12)17/h3-10,14H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 44782479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).