N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide

C14H10ClNO3 — CID 669588

IUPACN-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10ClNO3/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyFDFPTRMBOYUKQW-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.32
Rot. Bonds2

About N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide

N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 669588) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID669588
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC NameN-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10ClNO3/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyFDFPTRMBOYUKQW-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
N-(2-chlorophenyl)-3,4-dimethoxybenzamide
CID 791888
3'-Chloro-4-methoxybenzanilide
CID 346039
N-{2-chloro-5-nitrophenyl}-1,3-benzodioxole-5-carboxamide
CID 903655
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
1-(1,3-Benzodioxol-5-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 3238991
Methylenedioxybenzoyl ethyl PABA
CID 785868
N-(2-Methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 647869

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide (CID 669588) is N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is FDFPTRMBOYUKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide?
N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 275.69 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 669588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).