N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide

C14H10ClN3O3 — CID 168521364

IUPACN-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
SMILESN#CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C14H10ClN3O3/c15-10-4-3-9(17-13(19)5-6-16)8-11(10)18-14(20)12-2-1-7-21-12/h1-4,7-8H,5H2,(H,17,19)(H,18,20)
InChIKeyYIMCSOYAYAZYFM-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.04
Rot. Bonds4

About N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide

N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 168521364) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID168521364
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC NameN-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
SMILESN#CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C14H10ClN3O3/c15-10-4-3-9(17-13(19)5-6-16)8-11(10)18-14(20)12-2-1-7-21-12/h1-4,7-8H,5H2,(H,17,19)(H,18,20)
InChIKeyYIMCSOYAYAZYFM-UHFFFAOYSA-N
XLogP3.04
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126
N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1123641
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2600751
N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 5346300
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
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
CID 23938739

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide (CID 168521364) is N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide is N#CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is YIMCSOYAYAZYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-10-4-3-9(17-13(19)5-6-16)8-11(10)18-14(20)12-2-1-7-21-12/h1-4,7-8H,5H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide?
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 303.71 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 168521364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).