2-amino-6-chloro-N-prop-2-enylbenzamide

C10H11ClN2O — CID 63658592

IUPAC2-amino-6-chloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-6-13-10(14)9-7(11)4-3-5-8(9)12/h2-5H,1,6,12H2,(H,13,14)
InChIKeyBHGSWVKLOYUGKN-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-6-chloro-N-prop-2-enylbenzamide

2-amino-6-chloro-N-prop-2-enylbenzamide (PubChem CID 63658592) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-amino-6-chloro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-prop-2-enylbenzamide
PubChem CID63658592
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-amino-6-chloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-6-13-10(14)9-7(11)4-3-5-8(9)12/h2-5H,1,6,12H2,(H,13,14)
InChIKeyBHGSWVKLOYUGKN-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.84
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

3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
CID 18630326
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
CID 54390814
2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
CID 67677744
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
4-chloro-2-methyl-N-prop-2-enyl-1H-indole-3-carboxamide
CID 110848103
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-prop-2-enylbenzamide (CID 63658592) is 2-amino-6-chloro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-prop-2-enylbenzamide is C=CCNC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-prop-2-enylbenzamide?
The InChIKey is BHGSWVKLOYUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-2-6-13-10(14)9-7(11)4-3-5-8(9)12/h2-5H,1,6,12H2,(H,13,14).
What are the key properties of 2-amino-6-chloro-N-prop-2-enylbenzamide?
2-amino-6-chloro-N-prop-2-enylbenzamide has a molecular weight of 210.66 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-prop-2-enylbenzamide is sourced from PubChem (CID 63658592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).