N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide

C21H20ClN3O3 — CID 47081306

IUPACN-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C21H20ClN3O3/c1-14-11-17(8-9-18(14)24-20(26)19-7-4-10-28-19)23-21(27)25(2)13-15-5-3-6-16(22)12-15/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyRFBSPSVZOQMOEI-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.16
Rot. Bonds5

About N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide

N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide (PubChem CID 47081306) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
PubChem CID47081306
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C21H20ClN3O3/c1-14-11-17(8-9-18(14)24-20(26)19-7-4-10-28-19)23-21(27)25(2)13-15-5-3-6-16(22)12-15/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyRFBSPSVZOQMOEI-UHFFFAOYSA-N
XLogP5.16
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 154858775
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24545173
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide (CID 47081306) is N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is RFBSPSVZOQMOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-11-17(8-9-18(14)24-20(26)19-7-4-10-28-19)23-21(27)25(2)13-15-5-3-6-16(22)12-15/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide?
N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 47081306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).