N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C19H16Cl2N2O3 — CID 7718952

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H16Cl2N2O3/c1-11-13-5-3-4-6-16(13)26-18(11)19(25)23(2)10-17(24)22-12-7-8-14(20)15(21)9-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyQFABZVUOYUVMQO-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.76
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 7718952) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID7718952
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)oc2ccccc12
InChIInChI=1S/C19H16Cl2N2O3/c1-11-13-5-3-4-6-16(13)26-18(11)19(25)23(2)10-17(24)22-12-7-8-14(20)15(21)9-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyQFABZVUOYUVMQO-UHFFFAOYSA-N
XLogP4.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 16546548
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 31182781
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7624807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 7718952) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)oc2ccccc12.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is QFABZVUOYUVMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-11-13-5-3-4-6-16(13)26-18(11)19(25)23(2)10-17(24)22-12-7-8-14(20)15(21)9-12/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7718952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).