N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

C17H16Cl2N2O4 — CID 991444

IUPACN-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)NC[C@@H]1CCCO1)c1ccco1
InChIInChI=1S/C17H16Cl2N2O4/c18-10-7-12(16(22)20-9-11-3-1-5-24-11)15(13(19)8-10)21-17(23)14-4-2-6-25-14/h2,4,6-8,11H,1,3,5,9H2,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyKKRMLIMWJNNCCD-NSHDSACASA-N
MW383.23 g/mol
LogP3.75
Rot. Bonds5

About N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 991444) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID991444
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)NC[C@@H]1CCCO1)c1ccco1
InChIInChI=1S/C17H16Cl2N2O4/c18-10-7-12(16(22)20-9-11-3-1-5-24-11)15(13(19)8-10)21-17(23)14-4-2-6-25-14/h2,4,6-8,11H,1,3,5,9H2,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyKKRMLIMWJNNCCD-NSHDSACASA-N
XLogP3.75
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2941545
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 2911324
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 40612796
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605528

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 991444) is N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NC[C@@H]1CCCO1)c1ccco1.
What is the InChIKey of N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KKRMLIMWJNNCCD-NSHDSACASA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c18-10-7-12(16(22)20-9-11-3-1-5-24-11)15(13(19)8-10)21-17(23)14-4-2-6-25-14/h2,4,6-8,11H,1,3,5,9H2,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 383.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 991444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).