4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide

C11H11ClN2O2 — CID 115636455

IUPAC4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H11ClN2O2/c1-7(12)6-14-11(16)9-4-2-8(3-5-9)10(13)15/h2-5H,1,6H2,(H2,13,15)(H,14,16)
InChIKeyCQAGRMAOAOJKMJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.27
Rot. Bonds4

About 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide

4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide (PubChem CID 115636455) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
PubChem CID115636455
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
SMILESC=C(Cl)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H11ClN2O2/c1-7(12)6-14-11(16)9-4-2-8(3-5-9)10(13)15/h2-5H,1,6H2,(H2,13,15)(H,14,16)
InChIKeyCQAGRMAOAOJKMJ-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
CID 115739741
4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
CID 172799117
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
4-N-[(1-bromocyclopropyl)methyl]benzene-1,4-dicarboxamide
CID 126828005
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide (CID 115636455) is 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide is C=C(Cl)CNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide?
The InChIKey is CQAGRMAOAOJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(12)6-14-11(16)9-4-2-8(3-5-9)10(13)15/h2-5H,1,6H2,(H2,13,15)(H,14,16).
What are the key properties of 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide?
4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide has a molecular weight of 238.67 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 115636455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).