N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide

C14H13ClN2O4 — CID 51298848

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C14H13ClN2O4/c1-9-3-6-13(21-9)14(18)16(2)8-10-7-11(17(19)20)4-5-12(10)15/h3-7H,8H2,1-2H3
InChIKeyQSVKGUIDZRMQAP-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.42
Rot. Bonds4

About N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide

N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide (PubChem CID 51298848) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
PubChem CID51298848
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C14H13ClN2O4/c1-9-3-6-13(21-9)14(18)16(2)8-10-7-11(17(19)20)4-5-12(10)15/h3-7H,8H2,1-2H3
InChIKeyQSVKGUIDZRMQAP-UHFFFAOYSA-N
XLogP3.42
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 51298851
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethyl-3,5-dinitrobenzamide
CID 78825891
N-[(2-chloro-5-nitrophenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 51258327
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 86914869
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 51298245
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 51268613
N-[(2-chloro-5-nitrophenyl)methyl]-2-(dimethylamino)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75396466
5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18144110
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
N-[(2-chloro-5-nitrophenyl)methyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 16962037
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide (CID 51298848) is N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide is Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide?
The InChIKey is QSVKGUIDZRMQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-9-3-6-13(21-9)14(18)16(2)8-10-7-11(17(19)20)4-5-12(10)15/h3-7H,8H2,1-2H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide?
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide has a molecular weight of 308.72 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 51298848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).