N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide

C20H18ClN3O3 — CID 60544197

IUPACN-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-13-4-6-14(7-5-13)12-22-20(26)23-15-8-9-17(16(21)11-15)24-19(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyNVBKMDXXMIWUQQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.82
Rot. Bonds5

About N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide

N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide (PubChem CID 60544197) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
PubChem CID60544197
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-13-4-6-14(7-5-13)12-22-20(26)23-15-8-9-17(16(21)11-15)24-19(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyNVBKMDXXMIWUQQ-UHFFFAOYSA-N
XLogP4.82
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]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-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-2-chlorophenyl]furan-2-carboxamide
CID 60545712
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
CID 120589860

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide (CID 60544197) is N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide is Cc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1.
What is the InChIKey of N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide?
The InChIKey is NVBKMDXXMIWUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13-4-6-14(7-5-13)12-22-20(26)23-15-8-9-17(16(21)11-15)24-19(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 60544197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).