N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide

C16H15ClN2O4 — CID 154748555

IUPACN-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide
SMILESCC1CC(Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)C(=O)O1
InChIInChI=1S/C16H15ClN2O4/c1-9-7-13(16(21)23-9)18-10-4-5-12(11(17)8-10)19-15(20)14-3-2-6-22-14/h2-6,8-9,13,18H,7H2,1H3,(H,19,20)
InChIKeyCESJBMQKXCXCKS-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.30
Rot. Bonds4

About N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide

N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide (PubChem CID 154748555) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide
PubChem CID154748555
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide
SMILESCC1CC(Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)C(=O)O1
InChIInChI=1S/C16H15ClN2O4/c1-9-7-13(16(21)23-9)18-10-4-5-12(11(17)8-10)19-15(20)14-3-2-6-22-14/h2-6,8-9,13,18H,7H2,1H3,(H,19,20)
InChIKeyCESJBMQKXCXCKS-UHFFFAOYSA-N
XLogP3.30
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[2-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]furan-2-carboxamide
CID 2906713
N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
CID 23306451
N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531126
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxamide
CID 71889275
N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
CID 120589860

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide (CID 154748555) is N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide is CC1CC(Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)C(=O)O1.
What is the InChIKey of N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide?
The InChIKey is CESJBMQKXCXCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9-7-13(16(21)23-9)18-10-4-5-12(11(17)8-10)19-15(20)14-3-2-6-22-14/h2-6,8-9,13,18H,7H2,1H3,(H,19,20).
What are the key properties of N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide has a molecular weight of 334.76 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 154748555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).