1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate

C14H10ClNO4 — CID 127552969

IUPAC1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H10ClNO4/c15-9-2-1-3-10(6-9)16-14(17)20-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyCNLQQXVRXPMSAC-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.68
Rot. Bonds2

About 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate

1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate (PubChem CID 127552969) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
PubChem CID127552969
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H10ClNO4/c15-9-2-1-3-10(6-9)16-14(17)20-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChIKeyCNLQQXVRXPMSAC-UHFFFAOYSA-N
XLogP3.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylphenyl) N-(3-chlorophenyl)carbamate
CID 70557166
2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
1-[1,3-bis(1,3-benzodioxol-5-yl)propan-2-yl]-3-(3-chlorophenyl)urea
CID 46286242
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423
N-[2-(3-chloroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26578694
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 2556451
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803943
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
methyl N-(3-chlorophenyl)carbamate
CID 16529
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
CID 108531049

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate?
The IUPAC name of 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate (CID 127552969) is 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate?
The InChIKey is CNLQQXVRXPMSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-9-2-1-3-10(6-9)16-14(17)20-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17).
What are the key properties of 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate?
1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate has a molecular weight of 291.69 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 127552969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).