N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide

C15H10Cl2N2O4 — CID 10291634

IUPACN-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O4/c16-10-3-2-9(6-11(10)17)18-15(21)19-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H2,18,19,20,21)
InChIKeyMBTBKQZQTIGPMG-UHFFFAOYSA-N
MW353.16 g/mol
LogP3.68
Rot. Bonds2

About N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide

N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 10291634) has the molecular formula C15H10Cl2N2O4 and a molecular weight of 353.16 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide
PubChem CID10291634
Molecular FormulaC15H10Cl2N2O4
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC NameN-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O4/c16-10-3-2-9(6-11(10)17)18-15(21)19-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H2,18,19,20,21)
InChIKeyMBTBKQZQTIGPMG-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-iodo-4-methylphenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10273895
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
N-(3,4-dichlorophenyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100604856
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 1295986
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
(E)-3-(1,3-benzodioxol-5-ylamino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 882611
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10269870
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide (CID 10291634) is N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide is O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MBTBKQZQTIGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4/c16-10-3-2-9(6-11(10)17)18-15(21)19-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H2,18,19,20,21).
What are the key properties of N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide?
N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 353.16 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)carbamoyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 10291634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).