N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide

C22H18ClN3O4 — CID 60545712

IUPACN-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
SMILESCC(NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H18ClN3O4/c1-13(20-11-14-5-2-3-6-18(14)30-20)24-22(28)25-15-8-9-17(16(23)12-15)26-21(27)19-7-4-10-29-19/h2-13H,1H3,(H,26,27)(H2,24,25,28)
InChIKeyRERSBYOIPDETOQ-UHFFFAOYSA-N
MW423.86 g/mol
LogP5.81
Rot. Bonds5

About N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide

N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide (PubChem CID 60545712) has the molecular formula C22H18ClN3O4 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
PubChem CID60545712
Molecular FormulaC22H18ClN3O4
Molecular Weight423.86 g/mol
Exact Mass423.10
IUPAC NameN-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
SMILESCC(NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C22H18ClN3O4/c1-13(20-11-14-5-2-3-6-18(14)30-20)24-22(28)25-15-8-9-17(16(23)12-15)26-21(27)19-7-4-10-29-19/h2-13H,1H3,(H,26,27)(H2,24,25,28)
InChIKeyRERSBYOIPDETOQ-UHFFFAOYSA-N
XLogP5.81
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.86
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[5-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31310103
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide (CID 60545712) is N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide is CC(NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide?
The InChIKey is RERSBYOIPDETOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4/c1-13(20-11-14-5-2-3-6-18(14)30-20)24-22(28)25-15-8-9-17(16(23)12-15)26-21(27)19-7-4-10-29-19/h2-13H,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide?
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide has a molecular weight of 423.86 g/mol, XLogP of 5.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 60545712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).