N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide

C14H10BrNO3 — CID 110699494

IUPACN-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc2c1OCO2
InChIInChI=1S/C14H10BrNO3/c15-9-4-6-10(7-5-9)16-14(17)11-2-1-3-12-13(11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyLRJFRFOJMGXWEE-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.43
Rot. Bonds2

About N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide

N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide (PubChem CID 110699494) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
PubChem CID110699494
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC NameN-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc2c1OCO2
InChIInChI=1S/C14H10BrNO3/c15-9-4-6-10(7-5-9)16-14(17)11-2-1-3-12-13(11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyLRJFRFOJMGXWEE-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1,3-benzodioxole-4-carbonylamino)anthracen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 101095834
N-(3-chloro-4-fluorophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699491
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55966907
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55858175
1,3-benzodioxole-4-carboxylate
CID 6946476
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243
2-(1,3-benzodioxole-4-carbonylamino)-2-methylpropanoic acid
CID 110834795
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
CID 110699526
N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
CID 126766305
(2S)-2-(1,3-benzodioxole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 97233952
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55836989

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide (CID 110699494) is N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccc2c1OCO2.
What is the InChIKey of N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is LRJFRFOJMGXWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-9-4-6-10(7-5-9)16-14(17)11-2-1-3-12-13(11)19-8-18-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide?
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 320.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 110699494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).