N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C20H16Cl2N2O3 — CID 40612796

IUPACN-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccco1
InChIInChI=1S/C20H16Cl2N2O3/c1-2-12-6-3-4-7-16(12)23-19(25)14-10-13(21)11-15(22)18(14)24-20(26)17-8-5-9-27-17/h3-11H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyXXHRZYNQOHIBBK-UHFFFAOYSA-N
MW403.27 g/mol
LogP5.65
Rot. Bonds5

About N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 40612796) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID40612796
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC NameN-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccco1
InChIInChI=1S/C20H16Cl2N2O3/c1-2-12-6-3-4-7-16(12)23-19(25)14-10-13(21)11-15(22)18(14)24-20(26)17-8-5-9-27-17/h3-11H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyXXHRZYNQOHIBBK-UHFFFAOYSA-N
XLogP5.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[2,4-dichloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 991444
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 991449
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 40612796) is N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide is CCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccco1.
What is the InChIKey of N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XXHRZYNQOHIBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-2-12-6-3-4-7-16(12)23-19(25)14-10-13(21)11-15(22)18(14)24-20(26)17-8-5-9-27-17/h3-11H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 403.27 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 40612796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).