5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C15H18Cl2N2O — CID 107183912

IUPAC5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C15H18Cl2N2O/c16-13-9-11(18)8-12(14(13)17)15(20)19-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7,18H2,(H,19,20)
InChIKeyFPQYAVRYBBEVAA-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.20
Rot. Bonds4

About 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 107183912) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID107183912
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C15H18Cl2N2O/c16-13-9-11(18)8-12(14(13)17)15(20)19-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7,18H2,(H,19,20)
InChIKeyFPQYAVRYBBEVAA-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
CID 63116817
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 107183912) is 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is FPQYAVRYBBEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-13-9-11(18)8-12(14(13)17)15(20)19-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7,18H2,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 313.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 107183912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).