N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide

C20H17ClN2O3 — CID 1365415

IUPACN-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1C
InChIInChI=1S/C20H17ClN2O3/c1-12-5-6-14(10-13(12)2)19(24)22-15-7-8-17(16(21)11-15)23-20(25)18-4-3-9-26-18/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyHCMMSMBUEPTJKG-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.05
Rot. Bonds4

About N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide

N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1365415) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1365415
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1C
InChIInChI=1S/C20H17ClN2O3/c1-12-5-6-14(10-13(12)2)19(24)22-15-7-8-17(16(21)11-15)23-20(25)18-4-3-9-26-18/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyHCMMSMBUEPTJKG-UHFFFAOYSA-N
XLogP5.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 2968821
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[4-[(4-benzamido-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57248454
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide (CID 1365415) is N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1C.
What is the InChIKey of N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is HCMMSMBUEPTJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-5-6-14(10-13(12)2)19(24)22-15-7-8-17(16(21)11-15)23-20(25)18-4-3-9-26-18/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1365415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).