N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide

C15H17ClN2O2 — CID 43549722

IUPACN-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cc(N)ccc2Cl)c(C)o1
InChIInChI=1S/C15H17ClN2O2/c1-9-6-13(10(2)20-9)15(19)18(3)8-11-7-12(17)4-5-14(11)16/h4-7H,8,17H2,1-3H3
InChIKeyKDHSMLDACZAAFY-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.40
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide

N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 43549722) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
PubChem CID43549722
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cc(N)ccc2Cl)c(C)o1
InChIInChI=1S/C15H17ClN2O2/c1-9-6-13(10(2)20-9)15(19)18(3)8-11-7-12(17)4-5-14(11)16/h4-7H,8,17H2,1-3H3
InChIKeyKDHSMLDACZAAFY-UHFFFAOYSA-N
XLogP3.40
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 63391531
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 55175946
N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide (CID 43549722) is N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cc(N)ccc2Cl)c(C)o1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is KDHSMLDACZAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-6-13(10(2)20-9)15(19)18(3)8-11-7-12(17)4-5-14(11)16/h4-7H,8,17H2,1-3H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide?
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 43549722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).